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APAC Pharmaceutical, LLC

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Contact: Andy Yao
Web: http://www.apacpharma.com
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Profile: APAC Pharmaceutical, LLC is a custom chemical and cGMP manufacturing company. We provide chemistry & manufacturing solutions for specialty chemical, pharmaceutical and bio-tech companies. Our specialty product lines are specialty intermediates, metabolites, research reference standards, and drug like compound libraries. These products represent highly characterized compounds of drug substances, impurities, degradation products, metabolites and performance calibrators. Our products include fondaparinux sodium, 2,3,0-(3-pentylidene)-d-gluceraldhyde, 4, 4 -difluoro-cyclohexane carboxylic acid, 1,3,5-tris[(3,3,3-trifluoropropyl)methyl]cyclotrisiloxane, (s)-(-)-4-benzyl-2-oxazolidinone, d-(-)-2-aminobutylic acid, and (r)-tert-butanesulfinamide. We are also specialized in the research and production of synthetic peptides. We develop and manufacture custom peptides & custom cGMP peptides. We have a wide range of modified peptides such as those with unnatural amino acid, phosphorylation, terminal modifications and cyclization. We specialize in the modification of nucleosides and nucleotides. We offer a variety of modified and non-modified nucleoside/nucleotide as well as their analogs. We manufacture a variety of aromatic and unsaturated N, O, S heterocyclic ring including heteroaromatic synthons, complex heterocyclic systems & novel heteroaromatic compounds.

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• 3-Phenyl Propanoic Acid Methyl Ester
IUPAC Name: methyl 3-phenylpropanoate | CAS Registry Number: 103-25-3
Synonyms: Methyl hydrocinnamate, Methyl 3-phenylpropanoate, Methyl dihydrocinnamate, Methyl 3-phenylpropionate, Methyl benzenepropanoate, Hydrocinnamic acid, methyl ester, Benzenepropanoic acid, methyl ester, Methyl beta-phenylpropionate, METHYL PHENYLPROPIONATE, Methyl .beta.-phenylpropionate, FEMA No. 2741, CID7643, NSC10128, EINECS 203-092-2, .beta.-Phenylpropionic acid methyl ester, NSC 10128, NSC404188, ZINC00396313, beta-Phenylpropionic acid methyl ester, Hydrocinnamic acid, methyl ester (8CI)

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RPUSRLKKXPQSGP-UHFFFAOYSA-N

• 3-Triflouro Methylphenyl Acetonitrile
IUPAC Name: 2-[3-(trifluoromethyl)phenyl]acetonitrile | CAS Registry Number: 2338-76-3
Synonyms: 3-Trifluormethylbenzylcyanide, 3-(Trifluoromethyl)phenylacetonitrile, m-(Trifluoromethyl)benzylcyanide, 3-(Trifluoromethyl)benzyl cyanide, m-Trifluoromethylphenylacetonitrile, 199192_ALDRICH, Benzeneacetonitrile, 3-(trifluoromethyl)-, EINECS 219-053-8, 3-(Trifluoromethyl)benzeneacetonitrile, JRD-0314, BRN 0909640, ZINC00164848, LS-29050, ST5406451, Acetonitrile, (.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-, Acetonitrile, (alpha,alpha,alpha-trifluoro-m-tolyl)- (7CI,8CI)

Molecular Formula: C9H6F3NMolecular Weight: 185.145850 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JOIYKSLWXLFGGR-UHFFFAOYSA-N

• 4-(Trifluoromethoxy) Aniline
IUPAC Name: 4-(trifluoromethoxy)aniline | CAS Registry Number: 461-82-5
Synonyms: 4-(Trifluoromethoxy)aniline, p-Trifluoromethoxyaniline, TimTec1_005779, 337056_ALDRICH, 91752_FLUKA, ZERO/001420, p-Aminophenyl trifluoromethyl ether, EINECS 207-317-5, ZINC00081472, alpha,alpha,alpha-Trifluoro-p-anisidine, SDCCGMLS-0066269.P001, NCGC00173519-01, TL8003196, D1221

Molecular Formula: C7H6F3NOMolecular Weight: 177.123850 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: XUJFOSLZQITUOI-UHFFFAOYSA-N

• 4,4 (Chlorophenyl)-4-Hydroxy Piperdine
IUPAC Name: 4-(4-chlorophenyl)piperidin-4-ol | CAS Registry Number: 39512-49-7
Synonyms: Haloperidol metabolite I, Maybridge1_002157, Oprea1_639892, C66056_ALDRICH, 4-p-Chlorophenyl-4-piperidinol, 4-(p-Chlorophenyl)-4-hydroxypiperidine, 4-(p-Chlorophenyl)-4-piperidinol, 4-(p-Chlorophenyl)piperidin-4-ol, 4-(4-CHLOROPHENYL)-4-PIPERIDINOL, NSC89568, EINECS 254-479-8, 4-(4'-Chlorophenyl)-4-piperidinol, 4-(4-Chlorophenyl)-4-hydroxypiperidine, SBB003427, 4-(para-Chlorophenyl)-4-hydroxypiperidine, 4-Piperidinol, 4-(4-chlorophenyl)-, SDCCGMLS-0065872.P001, 4-Hydroxy-4-(4-chlorophenyl)piperidine, 4-Hydroxy-4-(p-chlorophenyl)piperidine, LS-192373

Molecular Formula: C11H14ClNOMolecular Weight: 211.687960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LZAYOZUFUAMFLD-UHFFFAOYSA-N

• 4,6-Dichloro Pyrimidine
IUPAC Name: 4,6-dichloropyrimidine | CAS Registry Number: 1193-21-1
Synonyms: 4,6-Dichloropyrimidine, nchembio760-comp5, Pyrimidine, 4,6-dichloro-, 145378_ALDRICH, 36420_FLUKA, NSC37530, EINECS 214-770-2, NSC 37530, ZINC01670096, D2356G5, NCI60_003520, TL806271, AI3-26563, T5636961, InChI=1/C4H2Cl2N2/c5-3-1-4(6)8-2-7-3/h1-2

Molecular Formula: C4H2Cl2N2Molecular Weight: 148.978080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XJPZKYIHCLDXST-UHFFFAOYSA-N

• 4-Bromo-3-Methyl-2-Thiophenecarbonyl Chloride
IUPAC Name: 4-bromo-3-methylthiophene-2-carbonyl chloride | CAS Registry Number: 265652-36-6
Synonyms: 4-bromo-3-methyl-2-thiophenecarbonyl chloride, 4-bromo-3-methylthiophene-2-carboxylic acidchloride, 4-bromo-3-methylthiophenecarbonyl chloride, 4-bromo-3-methylthiophene-2-carbonyl chloride, 4-bromo-3-methylthiophenecarboxylic acid chloride, ZINC02507128, PubChem5266, AC1MBV0W, CTK4F8155, AKOS015960596, AB13922, AG-E-83780, QC-6061, 4-bromanyl-3-methyl-thiophene-2-carbonyl chloride, A818511, 4-Bromo-3-methyl-thiophene-2-carboxylic acid chloride, 4-bromo-3-methyl-thiophene-2-carboxylic acidchloride, 4-bromo-3-methylthiophene-2-carboxylic acid chloride

Molecular Formula: C6H4BrClOSMolecular Weight: 239.517360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LQDVGTOWGBSXPJ-UHFFFAOYSA-N

• 4-Carboxybenzaldehyde
IUPAC Name: 4-formylbenzoic acid | CAS Registry Number: 619-66-9
Synonyms: Benzoic acid, 4-formyl-, Terephthalaldehydic acid, p-Carboxybenzaldehyde, p-Formylbenzoic acid, Terephthaldehydic acid, 4-Carboxybenzaladehyde, 4-FORMYLBENZOIC ACID, 4-Formyl-benzoic acid, para-carboxybenzaldehyde, HSDB 5719, MLS001055479, Benzaldehyde-4-carboxylic acid, 124915_ALDRICH, 21873_FLUKA, EINECS 210-607-4, 4-Carboxybenzaldehyde treated BSA, NSC 15797, AIDS189650, AIDS-189650, NSC15797

Molecular Formula: C8H6O3Molecular Weight: 150.131440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GOUHYARYYWKXHS-UHFFFAOYSA-N

• 4-Chloro Acetyl Catechol
IUPAC Name: 2-chloro-1-(3,4-dihydroxyphenyl)ethanone | CAS Registry Number: 99-40-1
Synonyms: 4-(Chloroacetyl)catechol, 2-Chloro-3',4'-dihydroxyacetophenone, C34405_ALDRICH, 3,4-Dihydroxyphenacyl chloride, ARK076, 4-(CHLORACETAL)CATECHOL, CHEBI:51844, NSC13905, NSC17869, EINECS 202-754-8, Ethanone, 2-chloro-1-(3,4-dihydroxyphenyl)-, STK077070, ZINC01592068, .alpha.-Chloro-3,4-dihydroxyacetophenone, 2-Chloro-1-(3,4-dihydroxyphenyl)ethanone, chloromethyl 3,4-dihydroxyphenyl ketone, Acetophenone, 2-chloro-3',4'-dihydroxy-, AI3-25258, .alpha.-Chloro-3',4'-dihydroxyacetophenone, InChI=1/C8H7ClO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,10-11H,4H

Molecular Formula: C8H7ClO3Molecular Weight: 186.592380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LWTJEJCZJFZKEL-UHFFFAOYSA-N

• 4-Chlorobutyryl Chloride
IUPAC Name: 4-chlorobutanoyl chloride | CAS Registry Number: 4635-59-0
Synonyms: 4-Chlorobutyryl chloride, 4-Chlorobutanoyl chloride, Butanoyl chloride, 4-chloro-, 4-Chlorobutyroyl chloride, gamma-Chlorobutyryl chloride, gamma-Chlorobutyroyl chloride, Butyryl chloride, 4-chloro-, 4-Chlorobutyric acid chloride, .gamma.-Chlorobutyryl chloride, 4-Chlorobutanoic acid chloride, C30604_ALDRICH, HSDB 7299, 343935_ALDRICH, 24030_FLUKA, EINECS 225-059-1, ZINC02242611, LS-46883

Molecular Formula: C4H6Cl2OMolecular Weight: 140.995840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CDIIZULDSLKBKV-UHFFFAOYSA-N

• 4-Hydroxyphenyl Butanone
IUPAC Name: 1-(4-hydroxyphenyl)butan-1-one | CAS Registry Number: 1009-11-6
Synonyms: p-Butyrylphenol, 4-Butyrylphenol, p-Hydroxybutyrophenone, 4-Hydroxybutyrophenone, Butyrophenone, 4'-hydroxy-, 4'-Hydroxybutyrophenone, ChemDiv2_002250, 1-Butanone, 1-(4-hydroxyphenyl)-, p-Hydroxyphenyl propyl ketone, ZERO/000922, NSC17548, Butyrophenone, 4'-hydroxy- (8CI), EINECS 213-766-8, NSC 17548, ZINC00078215

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GFBLPULLSAPXDC-UHFFFAOYSA-N

• 4-Methylimidazole
IUPAC Name: 5-methyl-1H-imidazole | CAS Registry Number: 822-36-6
Synonyms: 4(5)-Methylimidazole, 5-Methylimidazole, 1H-Imidazole, 4-methyl-, 4-Methyl-1H-imidazole, 4-Me-i, IMIDAZOLE, 4-METHYL-, 4(or 5)-Methylimidazole, 5-Methyl-1H-imidazole, S-3-furyl ethanethioate, WLN: T5M CNJ D1, MLS001065586, 199885_ALDRICH, 67580_FLUKA, EINECS 212-497-3, NSC 40744, NSC40744, SBB004403, ethanethioic acid, S-3-furanyl ester, AI3-08274, LS-1819

Molecular Formula: C4H6N2Molecular Weight: 82.103840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XLSZMDLNRCVEIJ-UHFFFAOYSA-N

• 4-Nitrobenzotrifluoride
IUPAC Name: 1-nitro-4-(trifluoromethyl)benzene | CAS Registry Number: 402-54-0
Synonyms: p-Nitrobenzotrifluoride, 211788_ALDRICH, 1-Nitro-4-(trifluoromethyl)benzene, EINECS 206-948-3, NSC159121, SBB008524, ZINC01610339, 4-Nitro-alpha,alpha,alpha-trifluorotoluene, 4-(TRIFLUOROMETHYL)NITROBENZENE, FR-2215, NSC 159121, ST5406517, 4-Nitro-.alpha.,.alpha.,.alpha.-trifluorotoluene

Molecular Formula: C7H4F3NO2Molecular Weight: 191.107370 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: XKYLCLMYQDFGKO-UHFFFAOYSA-N

• 4-(N-Methyl-N-Cyanoethyl) Aminobenzaldehyde
IUPAC Name: 3-(4-formyl-N-methylanilino)propanenitrile | CAS Registry Number: 94-21-3
Synonyms: 523860_ALDRICH, EINECS 202-315-0, 4-[(2-Cyanoethyl)methylamino]benzaldehyde, 4-((2-Cyanoethyl)methylamino)benzaldehyde, 3-((4-Formylphenyl)methylamino)propiononitrile, Propanenitrile, 3-((4-formylphenyl)methylamino)-, Propanenitrile, 3-[(4-formylphenyl)methylamino]-, P-IN-(2-CYANOETHYL)-METHYLAMINO)-BENZALDEHYDE

Molecular Formula: C11H12N2OMolecular Weight: 188.225780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DNRTTXXWWAKULZ-UHFFFAOYSA-N

• 5-Amino Isophthalic Acid
IUPAC Name: 5-aminobenzene-1,3-dicarboxylic acid | CAS Registry Number: 99-31-0
Synonyms: 5-Aminoisophthalic acid, Isophthalic acid, 5-amino-, Oprea1_005424, 186279_ALDRICH, NSC60141, 1,3-Benzenedicarboxylic acid, 5-amino-, CID66833, EINECS 202-748-5, Isophthalic acid, 5-amino- (8CI), NSC 60141, 5-Aminobenzene-1,3-dicarboxylic acid, ST5308594, 5-AMINO-1,3-BENZENEDICARBOXYLIC ACID

Molecular Formula: C8H7NO4Molecular Weight: 181.145480 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: KBZFDRWPMZESDI-UHFFFAOYSA-N

• 5-Bromo Indole
IUPAC Name: 5-bromo-1H-indole | CAS Registry Number: 10075-50-0
Synonyms: 5-BROMOINDOLE, 1H-Indole, 5-bromo-, Maybridge1_006195, NCIOpen2_000472, B68607_ALDRICH, NSC75581, 1H-Indole, 5-bromo- (9CI), CID24905, EINECS 233-208-7, NSC 75581, ZINC00081120, B2310G25, ST5330596, TL80073616, B-8420, B-8424, SR-01000632498-1, InChI=1/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10

Molecular Formula: C8H6BrNMolecular Weight: 196.043940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VXWVFZFZYXOBTA-UHFFFAOYSA-N

• 5-Cyanoindole
IUPAC Name: 1H-indole-5-carbonitrile | CAS Registry Number: 15861-24-2
Synonyms: 1H-Indole-5-carbonitrile, INDOLE-5-CARBONITRILE, C92006_ALDRICH, EINECS 239-986-4, SBB004148, ZINC00157017, LS-82429, TL8001198, C-8840, InChI=1/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11

Molecular Formula: C9H6N2Molecular Weight: 142.157340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YHYLDEVWYOFIJK-UHFFFAOYSA-N

• 5-Difluoromethoxy 2 Mercaptobenzimidazole
IUPAC Name: 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione | CAS Registry Number: 97963-62-7
Synonyms: 5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole, 5-DIFLUOROMETHOXY-2-MERCAPTO-1H-BENZIMIDAZOLE, 5-Difluoromethoxy-2-thio-benzimidazole, AG-H-98497, 5-(Difluoromethoxy)-2-benzimidazolethiol, 2-Mercapto-5-difluoromethoxy benzimidazole, 5-(Difluoromethoxy)-2-mercaptobenzimidazole, 5-(difluoromethoxy)-1H-benzimidazole-2-thiol, 5-(Difluoromethoxy)-1H-benzo[d]imidazole-2-thiol, AN-829/25059002, 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione, 5-(difluoromethoxy)-1,3-dihydro-2H-benzimidazole-2-thione, ZINC03882895, PubChem7125, AC1NN9SR, ACMC-209s9c, SureCN482378, SureCN2108226, KSC486M2B, UNII-39P59C89NV

Molecular Formula: C8H6F2N2OSMolecular Weight: 216.207846 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: HJMVPNAZPFZXCP-UHFFFAOYSA-N

• 5-Fluoro-2-Methyl Benzoic Acid
IUPAC Name: 5-fluoro-2-methylbenzoic acid | CAS Registry Number: 33184-16-6
Synonyms: 5-Fluoro-2-methylbenzoic acid, 3-Fluoro-6-methylbenzoic acid, 366625_ALDRICH, JRD-0227, CID182114, ST5410771, TL8002507, InChI=1/C8H7FO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11

Molecular Formula: C8H7FO2Molecular Weight: 154.138383 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JVBLXLBINTYFPR-UHFFFAOYSA-N

• 5-FOA
IUPAC Name: 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid | CAS Registry Number: 703-95-7
Synonyms: 5-Fluoroorotate, Fluoroorotic acid, 5-Fluoroorotic acid, Orotic acid, 5-fluoro-, 5-Fluoroorotic acid (VAN), 5-Fluoroorotic acid hydrate, WLN: T6VMVMJ EVQ FF, MLS000737636, 5-Fluorouracil-4-carboxylic acid, ENT-26398, NSC 31712, Ro 2-9945, EINECS 211-876-0, Orotic acid, 5-fluoro- (VAN), NSC31712, WR 152520, AI3-26398, Orotic acid, 5-fluoro- (VAN) (8CI), SMR000393806, LS-134889

Molecular Formula: C5H3FN2O4Molecular Weight: 174.086723 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: SEHFUALWMUWDKS-UHFFFAOYSA-N

• 5-Hydroxyisophthalic Acid
IUPAC Name: 5-hydroxybenzene-1,3-dicarboxylic acid | CAS Registry Number: 618-83-7
Synonyms: 5-Hydroxyisophthalic acid, 5-Oxyisophthalic acid, 5-Hydroxyisosphthalic acid, Isophthalic acid, 5-hydroxy-, 311278_ALDRICH, 1,3-Benzenedicarboxylic acid, 5-hydroxy-, EINECS 210-565-7, NSC 302088, 5-Hydroxy-1,3-benzenedicarboxylic acid, BRN 2693561, NSC302088, LS-29776, Isophthalic acid, 5-hydroxy- (6CI,7CI,8CI), ST5307230, TL8003969, 4-10-00-02098 (Beilstein Handbook Reference)

Molecular Formula: C8H6O5Molecular Weight: 182.130240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: QNVNLUSHGRBCLO-UHFFFAOYSA-N

• 5-Methoxyindole-3-Aldehyde
IUPAC Name: 5-methoxy-1H-indole-3-carbaldehyde | CAS Registry Number: 10601-19-1
Synonyms: 3-Formyl-5-methoxyindole, Oprea1_121493, M14943_ALDRICH, 5-Methoxyindole-3-carboxaldehyde, MLS000575461, 5-Methoxyindole-3-carbaldehyde, ZERO/005117, NSC521754, CID82758, 5-Methoxy-1H-indole-3-carbaldehyde, EINECS 234-220-5, ZINC00286557, 1H-Indole-3-carboxaldehyde, 5-methoxy-, SMR000184711, TL8000226, M-3490

Molecular Formula: C10H9NO2Molecular Weight: 175.183960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: TUWARWGEOHQXCO-UHFFFAOYSA-N

• 5-Methoxylindole
IUPAC Name: 5-methoxy-1H-indole | CAS Registry Number: 1006-94-6
Synonyms: Femedol, 5-Methoxy-1H-indole, 5-METHOXYINDOLE, Indole, 5-methoxy-, 1H-Indole, 5-methoxy-, Methoxy-5 indole, Indol-5-yl methyl ether, Methoxy-5 indole [French], M14900_ALDRICH, 1H-Indol-5-yl methyl ether, Methoxy-5 indole [French], WLN: T56 BMJ GO1, EINECS 213-745-3, 1H-Indole, 5-methoxy- (9CI), NSC 521752, CID13872, NSC521752, SBB004094, ZINC00158156, M2323G1

Molecular Formula: C9H9NOMolecular Weight: 147.173860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DWAQDRSOVMLGRQ-UHFFFAOYSA-N

• 5-Methyl-2-Pyridinamine
IUPAC Name: 5-methylpyridin-2-amine | CAS Registry Number: 1603-41-4
Synonyms: 3-Picoline, 6-amino-, 6-Amino-3-picoline, 2-Amino-5-methylpyridine, 2-Pyridinamine, 5-methyl-, 2-AMINO-5-PICOLINE, 5-Methyl-2-pyridinamine, 5-Methyl-2-pyridylamine, 5-Methyl-2-aminopyridine, 6-Amino-3-methylpyridine, 5-methylpyridin-2-ylamine, NCIOpen2_001614, 5-METHYLPYRIDIN-2-AMINE, A75684_ALDRICH, NSC 1489, EINECS 216-503-5, NSC1489, NSC 96444, NSC96444, BRN 0107050, SBB004353

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CMBSSVKZOPZBKW-UHFFFAOYSA-N

• 5-Nitro Isophthalic Acid Mono Methyl Ester
IUPAC Name: 3-methoxycarbonyl-5-nitrobenzoic acid | CAS Registry Number: 1955-46-0
Synonyms: Mono-methyl 5-nitroisophthalate, 5-nitromonomethyl isophthalate, 237388_ALDRICH, AIDS019418, Methyl 5-nitrohydrogen.isophthalate, AIDS-019418, EINECS 217-793-6, 5-Nitroisophthalic acid, monomethyl ester, 5-Nitroisophthalic acid monomethyl ester, ST5307156, TL8001605, Monomethyl 5-nitrobenzene-1,3-dicarboxylate, Isophthalic acid, 5-nitro-, monomethyl ester, PB256786570, 1,3-Benzenedicarboxylic acid, 5-nitro-, monomethyl ester

Molecular Formula: C9H7NO6Molecular Weight: 225.154980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: ZCRNIIJXDRYWDU-UHFFFAOYSA-N

• 5-Nitro Salicylal
IUPAC Name: 2-hydroxy-5-nitrobenzaldehyde | CAS Registry Number: 97-51-8
Synonyms: 5-Nitrosalicylaldehyde, 2-Hydroxy-5-nitrobenzaldehyde, Salicylaldehyde, 5-nitro-, Benzaldehyde, 2-hydroxy-5-nitro-, Oprea1_813586, NSC 881, 275352_ALDRICH, NSC881, 55967_FLUKA, EINECS 202-587-0, BTB 04054, SBB003885, AI3-52608, Salicylaldehyde, 5-nitro- (6CI,7CI,8CI), LS-25077, AH-034/32841024

Molecular Formula: C7H5NO4Molecular Weight: 167.118900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: IHFRMUGEILMHNU-UHFFFAOYSA-N

• 5-Nitrofurfural Diacetate
IUPAC Name: [acetyloxy-(5-nitrofuran-2-yl)methyl] acetate | CAS Registry Number: 92-55-7
Synonyms: Nitrofuraldehyde diacetate, 5-Nitrofurfural diacetate, 5-Nitro-2-furaldehyde diacetate, 2-(Diacetoxymethyl)-5-nitrofuran, 5-Nitro-2-furfural diacetate, 5-Nitrofurfurylidene diacetate, 5-Nitrofuraldehyde diacetate, Maybridge1_006444, CCRIS 1191, 5-Nitro-2-furanmethanediol diacetate, 5-Nitro-2-furfuraldehyde diacetate, 5-Nitrofurfurylidene di(acetate), 5-Nitro-2-furanmethandiol diacetate, NSC 5411, EINECS 202-166-1, 5-Nitro-2-furancarboxaldehyde diacetate, NSC5411, 5-Nitro-2-furan methandiol diacetate, BRN 0255089, ZINC00056461

Molecular Formula: C9H9NO7Molecular Weight: 243.170260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: HSXKWKJCZNRMJO-UHFFFAOYSA-N

• 5-Nitroindole
IUPAC Name: 5-nitro-1H-indole | CAS Registry Number: 6146-52-7
Synonyms: 5-Nitro-1H-indole, 1H-Indole, 5-nitro-, INDOLE, 5-NITRO-, CCRIS 3255, Oprea1_492280, N17602_ALDRICH, EINECS 228-153-0, 1H-Indole, 5-nitro- (9CI), NSC520594, ZINC00105247, LS-83315, SB 01605, ST5406179, TL8003894, N-3000

Molecular Formula: C8H6N2O2Molecular Weight: 162.145440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OZFPSOBLQZPIAV-UHFFFAOYSA-N

• 5-Sulpho Anthranilic Acid
IUPAC Name: 2-amino-5-sulfobenzoic acid | CAS Registry Number: 3577-63-7
Synonyms: 5-Sulphoanthranilic acid, 2-Amino-5-sulfobenzoic acid, 5-SULFOANTHRANILIC ACID, Benzoic acid, 2-amino-5-sulfo-, EINECS 222-697-2, LS-1235, SL-00597

Molecular Formula: C7H7NO5SMolecular Weight: 217.199180 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: MJNYPLCGWXFYPD-UHFFFAOYSA-N

• 5-Sulfosalicylic Acid
IUPAC Name: 2-hydroxy-5-sulfobenzoic acid | CAS Registry Number: 97-05-2
Synonyms: Salicylsulfonic acid, 5-Sulphosalicylic acid, SULFOSALICYLIC ACID, 5-Sulfosalicylic acid, 5-Sulfosalicylate, Salicylic acid, sulfo-, Sulphosalicylic acid, Kalcolor anodizing acid, Salicylic acid, 5-sulfo-, Benzoic acid, 2-hydroxysulfo-, Sulfosalicylic acid (VAN), Salicylsulfonic acid (VAN), Sulphosalicylic acid (VAN), 2-Hydroxy-5-sulfobenzoic acid, WLN: WSQR DQ CVQ, Benzoic acid, 2-hydroxy-5-sulfo-, 2-Hydroxybenzoic-5-sulfonic acid, EINECS 202-555-6, 3-Carboxy-4-hydroxybenzenesulfonic acid, NSC4741

Molecular Formula: C7H6O6SMolecular Weight: 218.183940 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: YCPXWRQRBFJBPZ-UHFFFAOYSA-N

• 6-Amino Penicillanic Acid
IUPAC Name: (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | CAS Registry Number: 551-16-6
Synonyms: Penicin, Penin, 6-Aminopenicillanic acid, Aminopenicillanic acid, 6-aminopenicillanate, 6-Apa, 6-Aps, 6-Aminopenicillamine acid, Phenacyl 6-aminopenicillinate, ()-6-Aminopenicillanic acid, A70909_ALDRICH, STOCK1N-01226, CHEBI:16705, EINECS 208-993-4, NSC 50071, CID11082, AI3-52557, LS-149719, C02954, 6-amino-2,2-dimethylpenam-3alpha-carboxylic acid

Molecular Formula: C8H12N2O3SMolecular Weight: 216.257480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: NGHVIOIJCVXTGV-ALEPSDHESA-N

• 6-Chloro-2-Methyl Nitrobenzene
IUPAC Name: 1-chloro-2-methyl-4-nitrobenzene | CAS Registry Number: 13290-74-9
Synonyms: 2-Chloro-5-nitrotoluene, 3-Nitro-6-chlorotoluene, 2-Methyl-4-nitrochlorobenzene, 1-Chloro-2-methyl-4-nitrobenzene, 25625_FLUKA, ZINC02168543, Benzene, 1-chloro-2-methyl-4-nitro-, CID83315, EINECS 236-306-8, ST5408087

Molecular Formula: C7H6ClNO2Molecular Weight: 171.581040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BGDCQZFFNFXYQC-UHFFFAOYSA-N

• 6-Ethoxy-2,2,4-Trimethyl-1,2-Dihydroquinoline
IUPAC Name: 6-ethoxy-2,2,4-trimethyl-1H-quinoline | CAS Registry Number: 91-53-2
Synonyms: ethoxyquin, Santoquin, Ethoxyquine, Santoquine, Niflex, Antioxidant EC, Santoflex A, Santoflex AW, Stop-Scald, Dawe's nutrigard, Nix-Scald, Nocrack AW, Quinol ED, Aries Antox, Niflex D, Antage AW, Nocrac AW, Permanax 103, Alterungsschutzmittel EC, Ethoxyquin [ISO]

Molecular Formula: C14H19NOMolecular Weight: 217.306760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DECIPOUIJURFOJ-UHFFFAOYSA-N

• 6-Mercaptopurine
IUPAC Name: 3,7-dihydropurine-6-thione | CAS Registry Number: 50-44-2
Synonyms: mercaptopurine, Mercapurin, Leupurin, Mercaleukin, Purinethiol, Purinethol, Leukerin, 6-Mercaptopurin, Ismipur, 6-Thioxopurine, 6-Purinethiol, 6-Thiopurine, Mern, Mercaleukim, Purimethol, Leukeran, Puri-Nethol, 6-Thiohypoxanthine, Purine-6-thiol, 3H-Purine-6-thiol

Molecular Formula: C5H4N4SMolecular Weight: 152.177060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GLVAUDGFNGKCSF-UHFFFAOYSA-N

• 6-Nitro 1,2,4 Diazo Acid (Ndnsa)
IUPAC Name: 4-diazonio-3-hydroxy-7-nitronaphthalene-1-sulfonate | CAS Registry Number: 5366-84-7
Synonyms: EINECS 264-347-1, CID113367, 4-Diazo-3,4-dihydro-7-nitro-3-oxonaphthalene-1-sulphonic acid, 1-Naphthalenesulfonic acid, 4-diazo-3,4-dihydro-7-nitro-3-oxo-, 101667-26-9, 117255-15-9, 123216-22-8, 155668-12-5, 172683-35-1, 63589-25-3, 65180-76-9, 92815-48-0

Molecular Formula: C10H5N3O6SMolecular Weight: 295.228200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: CCFWJWRQXDDAEJ-UHFFFAOYSA-N

• 5-Hydroxyisocarbostyril
IUPAC Name: 5-hydroxy-2H-isoquinolin-1-one | CAS Registry Number: 5154-02-9
Synonyms: 1,5-isoquinolinediol, 1,5-Dihydroxyisoquinoline, Lopac-I-138, PARP Inhibitor IV, IQD, I138_SIGMA, Lopac0_000655, MLS000860043, 5-Hydroxy-1(2H)-isoquinolinone, 5-Hydroxy-1(2H)-isoquinoline, NSC65585, CID1340, CHEBI:306035, MolPort-003-941-774, 1(2H)-Isoquinolinone, 5-hydroxy-, IN1292, ZINC08616043, SMP2_000192, 5-Hydroxy-2H-isoquinolin-1-one (DHQ), NCGC00015537-01, NCGC00015537-02

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LFUJIPVWTMGYDG-UHFFFAOYSA-N

• 4-N-Nonyloxyaniline
IUPAC Name: 4-nonylaniline | CAS Registry Number: 37529-29-6
Synonyms: p-Nonylaniline, 4-Nonylaniline, CID142170

Molecular Formula: C15H25NMolecular Weight: 219.365700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: FDECURPHVMNAKO-UHFFFAOYSA-N

• 4-Pentylphenyl acetic acid
IUPAC Name: 2-(4-pentylphenyl)acetic acid | CAS Registry Number: 14377-21-0
Synonyms: 4-n-Pentylphenylacetic acid, 2-(4-pentylphenyl)acetic acid, 4-(Pent-1-yl)phenylacetic acid, ST51045783, (4-pentylphenyl)acetic acid, AC1MDO6K, SureCN846163, Benzeneacetic acid,4-pentyl-, MLS000087636, benzeneacetic acid, 4-pentyl-, 2-(4-pentylphenyl)ethanoic acid, CTK4C3802, MolPort-001-760-908, HMS1607E19, HMS2466C13, CK1039, AKOS001483217, AG-D-86542, AS02198, CCG-103131

Molecular Formula: C13H18O2Molecular Weight: 206.280820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YAAVVJAWWNQMCY-UHFFFAOYSA-N

• 2-Bromophenylacetone
IUPAC Name: 1-(2-bromophenyl)propan-2-one | CAS Registry Number: 21906-31-0
Synonyms: ZINC02518628, CID2734092

Molecular Formula: C9H9BrOMolecular Weight: 213.071160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: TZIAZLUAMDLDJF-UHFFFAOYSA-N

• 5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphine
IUPAC Name: 5,10,15,20-tetrakis(4-methoxyphenyl)-21,22-dihydroporphyrin | CAS Registry Number: 22112-78-3
Synonyms: Tetra(p-methoxyphenyl)porphyrin, MolPort-000-752-019, NSC241210, AIDS072071, 252883_SIAL, AIDS-072071, CID140886, DD-039, LT03511040, T1360, Porphine, 5,10,15,20-tetrakis(p-methoxyphenyl)-, 5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrin, 21H,23H-Porphine, 5,10,15,20-tetrakis(4-methoxyphenyl)-, 4-Methoxy-1-[7,12,17-tris(4-methoxyphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1<3,6>.1<8,11>.1<13,16>]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-2-yl]benzene

Molecular Formula: C48H38N4O4Molecular Weight: 734.839720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: SKXWDGDNWBYACJ-UHFFFAOYSA-N

• 1-Chlorotetradecane
IUPAC Name: 1-chlorotetradecane | CAS Registry Number: 2425-54-9
Synonyms: Myristyl chloride, Tetradecane, 1-chloro-, 1-CHLOROTETRADECANE, Tetradecyl chloride, n-Tetradecyl chloride, 252239_ALDRICH, EINECS 219-368-0, MolPort-003-928-516, LTBB001188, CID17043, c0622, LS-189869

Molecular Formula: C14H29ClMolecular Weight: 232.833060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: RNHWYOLIEJIAMV-UHFFFAOYSA-N

• 1-Methyl-3-Nitrophthalate
IUPAC Name: 2-methoxycarbonyl-6-nitrobenzoic acid | CAS Registry Number: 21606-04-2
Synonyms: 2-(methoxycarbonyl)-6-nitrobenzoic acid, 1-Methyl-3-nitrophthalate, 3-nitro-2-Carboxyl methyl benzoate, ST50170924, 1,2-Benzenedicarboxylicacid, 3-nitro-1-methylester, AC1NACBV, SureCN2598194, BEN007, Jsp004386, CTK8C0052, Methyl 2-carboxy-3-nitrobenzoate, methyl 3-nitro-2-carboxylbenzoate, MolPort-000-519-133, ANW-63954, RW3124, 2-methoxycarbonyl-6-nitrobenzoic acid, 3-Nitro-phthalic acid 1-Methyl ester, AKOS002268896, 2-Nitro-6-methoxycarbonyl benzoic acid, AC-4830

Molecular Formula: C9H7NO6Molecular Weight: 225.154980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: DJMQLZPEBHSABD-UHFFFAOYSA-N

• 3-Aminobenzenesulfonanilide
IUPAC Name: 3-amino-N-phenylbenzenesulfonamide | CAS Registry Number: 80-21-7
Synonyms: Metanilanilide, Metanilanilide (8CI), m-Aminobenzenesulphonanilide, Benzenesulfonanilide, 3-amino-, MLS000703707, NSC4989, MolPort-001-836-316, Benzenesulfonamide, 3-amino-N-phenyl-, 3-Amino-N-phenyl-benzenesulfonamide, CID66454, NSC 4989, EINECS 201-259-4, ZINC04362787, BAS 00116966, SMR000274072, T6260195

Molecular Formula: C12H12N2O2SMolecular Weight: 248.300880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: SOZFVONLAQIHRF-UHFFFAOYSA-N

• 3,5,6-Trichloro-2-Pyridinol
IUPAC Name: 3,5,6-trichloro-1H-pyridin-2-one | CAS Registry Number: 6515-38-4
Synonyms: Caswell No. 821AA, 3,5,6-Trichloro-2-pyridone, 3,5,6-TRICHLORO-2-PYRIDINOL, 3,5,6-Trichloro-2(1H)-pyridinone, 33972_RIEDEL, 3,5,6-Trichloropyridine-2-ol, 2-Hydroxy-3,5,6-trichloropyridine, 33972_FLUKA, EINECS 229-405-2, 2(1H)-Pyridinone, 3,5,6-trichloro-, MolPort-003-930-491, EPA Pesticide Chemical Code 206900, CID23017, 2,3,5-Trichloro-6-hydroxypyridine, 37439-34-2 (hydrochloride salt), 3,5,6-trichloro-2-pyridinol sodium salt, LS-133068, TL8004617, C012587, TCP

Molecular Formula: C5H2Cl3NOMolecular Weight: 198.434480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WCYYAQFQZQEUEN-UHFFFAOYSA-N

• 2',3',4'-Trimethoxyacetophenone
IUPAC Name: 1-(2,3,4-trimethoxyphenyl)ethanone | CAS Registry Number: 13909-73-4
Synonyms: 2,3,4-Trimethoxyacetophenone, 189812_ALDRICH, 2',3',4' Trimethoxyacetophenone, NSC68811, EINECS 237-678-4, NSC 68811, CID83810, ZINC00056494, 1-(2,3,4-Trimethoxyphenyl)ethanone, Ethanone, 1-(2,3,4-trimethoxyphenyl)-, 1-[2,3,4-tris(methyloxy)phenyl]ethanone, AI3-10562, FR-2279, BBV-25154437, LS-184960, InChI=1/C11H14O4/c1-7(12)8-5-6-9(13-2)11(15-4)10(8)14-3/h5-6H,1-4H

Molecular Formula: C11H14O4Molecular Weight: 210.226460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: PKNAATJMQOUREZ-UHFFFAOYSA-N

• 3-Bromobenzanthrone
IUPAC Name: 3-bromobenzo[a]phenalen-7-one | CAS Registry Number: 81-96-9
Synonyms: 3-Brombenzanthrone, Benzanthrone, 3-bromo-, 7-Bromomesobenzanthrone, 3-Bromobenz(d,e)anthrone, 3-Bromobenz[d,e]anthrone, 3-Bromobenz(de)anthracen-7-one, EINECS 201-390-7, CID6696, 7H-Benz[de]anthracen-7-one, 3-bromo-, NSC 13976, 3-Bromo-7H-benz(de)anthracen-7-one, BB_SC-4389, NSC13976, BRN 1975512, STK801556, ZINC03875547, 3-Bromo-7H-benz[de]anthracen-7-one, 3-Bromo-7H-benzo[de]anthracen-7-one, WLN: L C6666 1A Q IVJ OE, LS-27946

Molecular Formula: C17H9BrOMolecular Weight: 309.156760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WVECFEIAZAKUNF-UHFFFAOYSA-N

• 4,4'-Azoxydiphenetole
IUPAC Name: (4-ethoxyphenyl)-(4-ethoxyphenyl)imino-oxidoazanium | CAS Registry Number: 4792-83-0
Synonyms: Azoxyphenetole, p-Azoxyphenetol, p,p'-Azoxyphenetole, 4,4'-Azoxyphenetole, Azoxybenzene, 4,4'-diethoxy-, 4,4'-Diethoxyazoxybenzene, Bis-p-ethoxyazoxybenzene, p-AZOXY PHENETOLE, p,p'-Diethyloxyazoxybenzene, p,p'-Diethoxyazoxybenzene, 4,4'-Bis(ethoxy)azoxybenzene, CCRIS 2242, Diazene, bis(4-ethoxyphenyl)-, 1-oxide, NSC142006, Bis(4-ethoxyphenyl)diazene 1-oxide, CID78520, EINECS 225-347-7, STK378390, ZINC04501604, DAH1599101

Molecular Formula: C16H18N2O3Molecular Weight: 286.325720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: QUICZVHSJNKDBL-UHFFFAOYSA-N

• 4-N-Octylbenzaldehyde
IUPAC Name: 4-octylbenzaldehyde | CAS Registry Number: 49763-66-8
Synonyms: Benzaldehyde, 4-octyl-, CID2734685, LT03510382

Molecular Formula: C15H22OMolecular Weight: 218.334580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IHKVZPVHTKOSLW-UHFFFAOYSA-N

• 4-Sec-Butylaniline
IUPAC Name: 4-butan-2-ylaniline | CAS Registry Number: 30273-11-1
Synonyms: 4-sec-Butylaniline, p-sec-Butylaniline, 4-Amino-sec-butylbenzene, ARONIS023656, EINECS 250-108-9, AKE-BBR-007625, Benzenamine, 4-(1-methylpropyl)-, CID121771, BBR-007625

Molecular Formula: C10H15NMolecular Weight: 149.232800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NVVVQTNTLIAISI-UHFFFAOYSA-N

• 2,4-Dimethyl-3-Pyridinecarboxylic Acid Hydrochloride
IUPAC Name: 2,4-dimethylpyridine-3-carboxylate | CAS Registry Number: 55314-30-2
Synonyms: ZINC04202615

Molecular Formula: C8H8NO2-Molecular Weight: 150.154620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XSZKVKMGSAAAJZ-UHFFFAOYSA-M

• 6-Bromo-4-Cyanoindole
IUPAC Name: 6-bromo-1H-indole-4-carbonitrile | CAS Registry Number: 374633-26-8
Synonyms: 6-Bromo-4-cyanoindole, 6-Bromo-1H-indole-4-carbonitrile, SureCN2124251, CTK4H8209, 1H-Indole-4-carbonitrile,6-bromo-, ZINC02506895, AKOS015898450, AB13572, AG-F-31641, AC-11491, AK139854, I10-0773

Molecular Formula: C9H5BrN2Molecular Weight: 221.053400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZGACZDHTHZGXJB-UHFFFAOYSA-N


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