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SYNTHON Chemicals GmbH & Co.KG

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Profile: SYNTHON Chemicals GmbH & Co.KG is a producer of fine chemicals and specialties. We are DIN EN ISO 9001:2000 certified. Our products include dyes and fluorescent dyes for high-tech applications, liquid crystals for electro-optical displays & fine chemicals for research, development & small scale production units. We also manufacture organic reagent small rings, organic reagent heterocycles and pharmaceutical intermediates.

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• 4-Bromo-2-Fluorobiphenyl
IUPAC Name: 4-bromo-2-fluoro-1-phenylbenzene | CAS Registry Number: 41604-19-7
Synonyms: 4-Bromo-2-fluorobiphenyl, 367583_ALDRICH, 1,1'-Biphenyl, 4-bromo-2-fluoro-, 4-Bromo-2-fluoro-1,1'-biphenyl, EINECS 255-453-9, ST5408568, 3S104240

Molecular Formula: C12H8BrFMolecular Weight: 251.094323 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HTRNHWBOBYFTQF-UHFFFAOYSA-N

• 1,3-Dichloropropane
IUPAC Name: 1,3-dichloropropane | CAS Registry Number: 142-28-9
Synonyms: Trimethylene dichloride, 1,3-DICHLOROPROPANE, Propane, 1,3-dichloro-, R 270fa, WLN: G3G, 1,3-Dichloropropane solution, D72204_ALDRICH, HSDB 5482, 41109_SUPELCO, 45439_RIEDEL, CCRIS 9220, NSC 6204, EINECS 205-531-3, CID8881, NSC6204, LS-2112, NCGC00091672-01, ST5214524, InChI=1/C3H6Cl2/c4-2-1-3-5/h1-3H, C067434

Molecular Formula: C3H6Cl2Molecular Weight: 112.985740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: YHRUOJUYPBUZOS-UHFFFAOYSA-N

• 1,2,3-Triazole-4,5-Dicarboxylic Acid
IUPAC Name: 2H-triazole-4,5-dicarboxylic acid | CAS Registry Number: 4546-95-6
Synonyms: 1,2,3-Triazole-4,5-dicarboxylic acid, 1H-1,2,3-Triazole-4,5-dicarboxylic acid, 2h-1,2,3-triazole-4,5-dicarboxylic acid, 294853-04-6, NSC83126, AC1L5UDX, SureCN211857, AC1Q5UH7, SureCN11029352, 269727_ALDRICH, CHEMBL324653, CTK1A0718, CTK4I8824, 4,5-Dicarboxy-1,2,3-triazole, MolPort-002-328-850, MolPort-002-343-137, KUC107934N, 2H-triazole-4,5-dicarboxylic acid, ZERO/005686, AR-1E1895

Molecular Formula: C4H3N3O4Molecular Weight: 157.084320 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: TZFOEYRGARRRGO-UHFFFAOYSA-N

• 3-(4-Hydroxyphenyl) Propionic Acid
IUPAC Name: 3-(4-hydroxyphenyl)propanoic acid | CAS Registry Number: 501-97-3
Synonyms: Phloretic acid, Phloretate, Hydro-p-coumaric acid, uHLORETIC ACID, Dihydro-p-coumaric acid, p-Hydroxyhydrocinnamic acid, 4-Hydroxyphenylpropionic acid, Hydrocinnamic acid, p-hydroxy-, 3-(4-Hydroxyphenyl)propanoic acid, 3-(4-Hydroxyphenyl)propionic acid, 3-(p-Hydroxyphenyl)propionic acid, Benzenepropanoic acid, 4-hydroxy-, 4-Hydroxybenzenepropanoic acid, p-Hydroxyphenylpropionic acid, HYDROXYPHENYL PROPIONIC ACID, Oprea1_221751, H52406_ALDRICH, beta-(p-Hydroxyphenyl)propionic acid, 56190_FLUKA, CHEBI:32980

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NMHMNPHRMNGLLB-UHFFFAOYSA-N

• 2-Hydroxy-3-Naphthalene Carboxylic Acid
IUPAC Name: 3-hydroxynaphthalene-2-carboxylic acid | CAS Registry Number: 92-70-6
Synonyms: Developer BON, Naphthol bon, BON acid, Developer 8, B.o.n. acid, BONA, CI Developer 20, 3-Hydroxy-2-naphthoic acid, Naphthol B.O.N., C.I. Developer 20, C.I. Developer 8, Miketazol Developer ONS, 2-Hydroxy-3-naphthoic acid, Naphthol B.O.N, beta-Oxynaphthoic acid, beta-Hydroxynaphthoic acid, 2-Naphthoic acid, 3-hydroxy-, 2-Naphthol-3-carboxylic acid, 3-Hydroxy-2-naphthoate, 3-Naphthol-2-carboxylic acid

Molecular Formula: C11H8O3Molecular Weight: 188.179420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ALKYHXVLJMQRLQ-UHFFFAOYSA-N

• 4-Cyanobenzoyl Chloride
IUPAC Name: 4-cyanobenzoyl chloride | CAS Registry Number: 6068-72-0
Synonyms: 4-Cyanobenzoyl chloride, Ambap5757, p-CYANOBENZOYL CHLORIDE, 124826_ALDRICH, ZINC02140882, CID80172, EINECS 228-005-5

Molecular Formula: C8H4ClNOMolecular Weight: 165.576460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: USEDMAWWQDFMFY-UHFFFAOYSA-N

• 4-Bromo-2,6-difluorobenzonitrile
IUPAC Name: 4-bromo-2,6-difluorobenzonitrile | CAS Registry Number: 123843-67-4
Synonyms: 4-Bromo-2,6-difluoro-benzonitrile, 2,6-difluoro-4-bromobenzonitrile, SBB059420, AG-D-51083, 4-bromo-2,6-difluorobenzenecarbonitrile, 123843-67-4 4-bromo-2,6-difluorobenzonitrile, ZINC02574361, PubChem4699, AC1MBUNV, ACMC-1BYMK, SureCN974652, KSC513M5D, Jsp001592, CTK4B3651, MolPort-000-151-914, WT461, 2,6-difluoro-4-bromo-benzonitrile, 2,6-Difluoro-4-bromobenzonitrile;, ACT00183, ANW-18165

Molecular Formula: C7H2BrF2NMolecular Weight: 217.998286 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: TZHQWUAOIWRFSW-UHFFFAOYSA-N

• 4-Ethyl-4'-cyanobiphenyl
IUPAC Name: 4-(4-ethylphenyl)benzonitrile | CAS Registry Number: 58743-75-2
Synonyms: Ambap1007, 4-Cyano-4'-ethylbiphenyl, ZINC01260186, CID93890, EINECS 261-414-7, 4'-Ethyl(1,1'-biphenyl)-4-carbonitrile, 4'-Ethyl[1,1'-biphenyl]-4-carbonitrile, TL8003759, (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl-, [1,1'-Biphenyl]-4-carbonitrile, 4'-ethyl-

Molecular Formula: C15H13NMolecular Weight: 207.270420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DLLIPJSMDJCZRF-UHFFFAOYSA-N

• 4-Amino-4H-1,2,4-triazole-3-thiol
IUPAC Name: 4-amino-1H-1,2,4-triazole-5-thione | CAS Registry Number: 4343-75-3
Synonyms: MolPort-000-147-862, MolPort-002-360-795, NSC156612, STK133712, 4-Amino-3-mercapto-1,2,4-triazole, CID2735343, 4-amino-4H-1,2,4-triazole-3-thiol, 4-Amino-3-mercacpto-1,2,4(4H)-triazole, T0512-4637

Molecular Formula: C2H4N4SMolecular Weight: 116.144960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DLLBXBCKFUPBJE-UHFFFAOYSA-N

• 2,3-dihydro-1-benzofuran-7-carbaldehyde
IUPAC Name: 2,3-dihydro-1-benzofuran-7-carbaldehyde | CAS Registry Number: 196799-45-8
Synonyms: 2,3-Dihydrobenzofuran-7-carbaldehyde, 2,3-Dihydrobenzofuran-7-carboxaldehyde, SBB059729, AG-E-43687, 2,3-dihydrobenzo[b]furan-7-carbaldehyde, ZINC04277231, AC1MDSEX, MolPort-000-142-168, ANW-47586, AKOS006344209, RP01563, AK-49532, BR-49532, EN003044, KB-16850, FT-0643834, ST51044634, W4173, A813869, I14-10774

Molecular Formula: C9H8O2Molecular Weight: 148.158620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CLXXUGOCVBQNAI-UHFFFAOYSA-N

• 1-Butyl-4-diethoxymethyl-benzene
IUPAC Name: 1-butyl-4-(diethoxymethyl)benzene | CAS Registry Number: 83803-80-9
Synonyms: 1-Butyl-4-(diethoxymethyl)benzene, ZINC02166898, EINECS 280-899-6, CID605679, Benzene, 1-butyl-4-(diethoxymethyl)-, ST5307826

Molecular Formula: C15H24O2Molecular Weight: 236.349860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VZIJDIWCWDYVFM-UHFFFAOYSA-N

• 3-Nitrophthalonitrile
IUPAC Name: 3-nitrobenzene-1,2-dicarbonitrile | CAS Registry Number: 51762-67-5
Synonyms: 3-Nitrophthalodinitrile, 2,3-Dicyanonitrobenzene, Ambap850, 411914_ALDRICH, 3-Nitro-1,2-benzenedicarbonitrile, 1,2-Benzenedicarbonitrile, 3-nitro-, ZINC00281554, LS-29705, ST5405568

Molecular Formula: C8H3N3O2Molecular Weight: 173.128320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UZJZIZFCQFZDHP-UHFFFAOYSA-N

• 4-Amino-2-methylmercaptoquinazoline
IUPAC Name: 2-methylsulfanylquinazolin-4-amine | CAS Registry Number: 63963-40-6
Synonyms: ZINC00066120, CID693785, SBB005541, SR-01000635881-1

Molecular Formula: C9H9N3SMolecular Weight: 191.252860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MXRPUVYQSUYFTH-UHFFFAOYSA-N

• 4-Ethoxybenzoic Acid
IUPAC Name: 4-ethoxybenzoic acid | CAS Registry Number: 619-86-3
Synonyms: p-Ethoxybenzoic acid, 4-ETHOXYBENZOIC ACID, Benzoic acid, 4-ethoxy-, Benzoic acid, p-ethoxy-, 144959_ALDRICH, ARONIS009499, Benzoic acid, p-ethoxy- (8CI), NSC8705, AIDS027805, AIDS-027805, NSC 8705, EINECS 210-616-3, SBB015394, AI3-20152, TL8004008, AH-034/32461045, InChI=1/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SHSGDXCJYVZFTP-UHFFFAOYSA-N

• 2,3,3-Trimethyl-3H-indole
IUPAC Name: 2,3,3-trimethylindole | CAS Registry Number: 1640-39-7
Synonyms: 2,3,3-Trimethylindolenine, 2,3,3-TRIMETHYL-3H-INDOLE, 3H-Indole, 2,3,3-trimethyl-, CCRIS 6607, T76805_ALDRICH, EINECS 216-685-6, NSC 65633, BB_SC-4660, NSC65633, ZINC03860805, AI3-51456, LS-188246, TL80074169, T-6650

Molecular Formula: C11H13NMolecular Weight: 159.227620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FLHJIAFUWHPJRT-UHFFFAOYSA-N

• 4-(Hydroxymethyl)phenylacetic acid
IUPAC Name: 2-[4-(hydroxymethyl)phenyl]acetic acid | CAS Registry Number: 73401-74-8
Synonyms: [4-(hydroxymethyl)phenyl]acetic acid, 2-[4-(hydroxymethyl)phenyl]acetic Acid, 2-(4-(Hydroxymethyl)phenyl)acetic acid, AmbotzRL-1037, PubChem19630, AC1MMBS3, ACMC-1BL5I, SureCN110198, 579610_ALDRICH, 4-(Carboxymethyl)benzyl alcohol, 4-Hydroxymethylphenylacetic acid, CTK5D7960, 4-(Hydroxymethyl)Phenylaceticacid, MolPort-001-769-207, ACT08019, ANW-36340, AKOS015894328, Benzeneacetic acid,4-(hydroxymethyl)-, AG-G-90357, MCULE-9150949915

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FWZBPBKAANKOJQ-UHFFFAOYSA-N

• 1,2,3,-Benzenetricarboxylic acid
IUPAC Name: benzene-1,2,3-tricarboxylic acid | CAS Registry Number: 569-51-7
Synonyms: HEMIMELLITIC ACID, 1,2,3-Benzenetricarboxylic acid, 1,2,3-Tricarboxybenzene, Benzenetricarboxylic acid, Benzene-1,2,3-tricarboxylic acid, 51520_FLUKA, Benzene 1,2,3-tricarboxylic acid, EINECS 209-317-0, NSC401092, NSC 401092, 1,2,3-BENZENTRICARBOXYLIC ACID, TL8003672, 36362-97-7, 27252-21-7, InChI=1/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15

Molecular Formula: C9H6O6Molecular Weight: 210.140340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: UJMDYLWCYJJYMO-UHFFFAOYSA-N

• 4-Cyclohexylbenzoic acid
IUPAC Name: 4-cyclohexylbenzoic acid | CAS Registry Number: 20029-52-1
Synonyms: Oprea1_387451, NSC126462, CID88337, EINECS 243-472-5, ST5407901

Molecular Formula: C13H16O2Molecular Weight: 204.264940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QCIWHVKGVVQHIY-UHFFFAOYSA-N

• 4-Propyl-4'-cyanobiphenyl
IUPAC Name: 4-(4-propylphenyl)benzonitrile | CAS Registry Number: 58743-76-3
Synonyms: 4-Cyano-4'-propylbiphenyl, CID93891, EINECS 261-415-2, [1,1'-Biphenyl]-4-carbonitrile, 4'-propyl-, 4'-Propyl[1,1'-biphenyl]-4-carbonitrile, 4'-Propyl(1,1'-biphenyl)-4-carbonitrile, (1,1'-Biphenyl)-4-carbonitrile, 4'-propyl-

Molecular Formula: C16H15NMolecular Weight: 221.297000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XFMPTZWVMVMELB-UHFFFAOYSA-N

• 4-Cyanophenol
IUPAC Name: 4-hydroxybenzonitrile | CAS Registry Number: 767-00-0
Synonyms: 4-Hydroxybenzonitrile, p-Hydroxybenzonitrile, P-CYANOPHENOL, Benzonitrile, 4-hydroxy-, Benzonitrile, p-hydroxy-, phenol derivative, 10, WLN: QR DCN, C7H5NO, C94009_ALDRICH, 4-Hydroxybenzoic acid nitrile, 45528_RIEDEL, 54797_FLUKA, CHEBI:38622, EINECS 212-175-2, NSC 400524, NSC400524, SBB008054, ZINC00388759, 4-HYDROXY-BENZOIC ACID,NITRILE, AI3-52392

Molecular Formula: C7H5NOMolecular Weight: 119.120700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CVNOWLNNPYYEOH-UHFFFAOYSA-N

• 3-Pyridinol
IUPAC Name: pyridin-3-ol | CAS Registry Number: 109-00-2
Synonyms: 3-HYDROXYPYRIDINE, 3-Pyridone, 3-Pyridol, 3-Oxopyridine, m-Hydroxypyridine, pyridin-3-ol, 3-Pyridyl alcohol, beta-Hydroxypyridine, 3-hydroxypyridinium, .beta.-Hydroxypyridine, C5H5NO, H57009_ALDRICH, EINECS 203-637-4, NSC 18470, AIDS020387, AIDS-020387, NSC18470, SBB004391, ZINC00967325, AI3-19237

Molecular Formula: C5H5NOMolecular Weight: 95.099300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GRFNBEZIAWKNCO-UHFFFAOYSA-N

• 1,2,4,5-Tetrakis(bromomethyl)benzene
IUPAC Name: 1,2,4,5-tetrakis(bromomethyl)benzene | CAS Registry Number: 15442-91-8
Synonyms: 236616_ALDRICH, NSC141461, 1,2,4,5-Tetra(bromomethyl)benzene, CID284971, Benzene, 1,2,4,5-tetrakis(bromomethyl)-, ST5409361, alpha,alpha',alpha'',alpha'''-Tetrabromodurene

Molecular Formula: C10H10Br4Molecular Weight: 449.802400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UTXIKCCNBUIWPT-UHFFFAOYSA-N

• 3-Cyanobenzoic acid
IUPAC Name: 3-cyanobenzoic acid | CAS Registry Number: 1877-72-1
Synonyms: m-Cyanobenzoic acid, Benzoic acid, 3-cyano-, 3-CYANOBENZOIC ACID, 3-Carboxybenzonitrile, Benzoic acid, m-cyano-, Enamine_005492, Isophthalic acid mononitrile, 157163_ALDRICH, AIDS169353, AIDS-169353, EINECS 217-511-1, TL806217, T0517-5210, InChI=1/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11

Molecular Formula: C8H5NO2Molecular Weight: 147.130800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GYLKKXHEIIFTJH-UHFFFAOYSA-N

• 3-(2-Pyridyl)acrylic acid
IUPAC Name: (E)-3-pyridin-2-ylprop-2-enoic acid | CAS Registry Number: 7340-22-9
Synonyms: 2-Pyridineacrylic acid, Ambap3763, 2-(2-Carboxyvinyl)pyridine, trans, NSC63239, BBV-038416

Molecular Formula: C8H7NO2Molecular Weight: 149.146680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LKDFTXDJKHGCAC-SNAWJCMRSA-N

• 4-N-Butylcyclohexanone
IUPAC Name: 4-butylcyclohexan-1-one | CAS Registry Number: 61203-82-5
Synonyms: 4-butylcyclohexan-1-one, 4-Butyl-cyclohexanone, 4-Butylcyclohexanone, AC1LBWOJ, PubChem20238, trans-4-butylcyclohexanone, SureCN918598, CTK2F2962, SBB059680, ZINC16637740, AKOS006279917, AG-G-22735, AK-50748, BR-50748, KB-40024, 9093P, ST51044589, W7348, cyclohexanone, 4-butyl-;4-n-Butylcyclohexanone;, I14-6931

Molecular Formula: C10H18OMolecular Weight: 154.249320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CKUNTDNDGXPOPB-UHFFFAOYSA-N

• 4-n-Pentylbenzoic acid
IUPAC Name: 4-pentylbenzoic acid | CAS Registry Number: 26311-45-5
Synonyms: 4-Pentylbenzoic acid, p-Pentylbenzoic acid, p-Amylbenzoic acid, 4-Amylbenzoic acid, Benzoic acid, 4-pentyl-, Para-Pentylbenzoic acid, p-n-Pentyl benzoic acid, BENZOIC ACID, p-PENTYL-, 230650_ALDRICH, EINECS 247-607-9, NSC 169024, BRN 2044798, NSC169024, SBB007808, FR-0379, LS-38112, 3-09-00-02551 (Beilstein Handbook Reference)

Molecular Formula: C12H16O2Molecular Weight: 192.254240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CWYNKKGQJYAHQG-UHFFFAOYSA-N

• 4-Iodobiphenyl
IUPAC Name: 1-iodo-4-phenylbenzene | CAS Registry Number: 1591-31-7
Synonyms: p-Iodobiphenyl, 4-Iododiphenyl, p-Phenyliodobenzene, 4-Biphenyl iodide, 4-IODOBIPHENYL, Biphenyl, 4-iodo-, 1,1'-Biphenyl, 4-iodo-, 4-Iodo-1,1'-biphenyl, Biphenyl, 4-iodo- (8CI), 637769_ALDRICH, NSC3791, CID15322, NSC 3791, EINECS 216-469-1, STK325713, ZINC00980089, AI3-15372, TL8001204, AE-848/30708050

Molecular Formula: C12H9IMolecular Weight: 280.104330 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: NXYICUMSYKIABQ-UHFFFAOYSA-N

• 1,6-Dibromo-2-naphthol
IUPAC Name: 1,6-dibromonaphthalen-2-ol | CAS Registry Number: 16239-18-2
Synonyms: 2-Naphthalenol, 1,6-dibromo-, 1,6-Dibromo-beta-naphthol, D41805_ALDRICH, 2-NAPHTHOL, 1,6-DIBROMO-, 1,6-Dibromo-.beta.-naphthol, ARONIS001212, WLN: L66J BE CQ HE, NSC 9870, EINECS 240-356-6, NSC9870, 1,6-Dibromo-2-hydroxynaphthalene, BRN 2092298, ZINC00078026, AI3-19853, LS-95425, ST029626, 4-06-00-04305 (Beilstein Handbook Reference)

Molecular Formula: C10H6Br2OMolecular Weight: 301.962040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VKESFYLPKHQOOA-UHFFFAOYSA-N

• 4-Amino-P-terphenyl
IUPAC Name: 4-(4-phenylphenyl)aniline | CAS Registry Number: 7293-45-0
Synonyms: NSC506440, CID350072

Molecular Formula: C18H15NMolecular Weight: 245.318400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ATGIXVUZFPZOHP-UHFFFAOYSA-N

• 2,4-Dimethylpyrrole
IUPAC Name: 2,4-dimethyl-1H-pyrrole | CAS Registry Number: 625-82-1
Synonyms: Pyrrole, 2,4-dimethyl-, 2,4-Dimethyl-1H-pyrrole, 1H-Pyrrole, 2,4-dimethyl-, 390836_ALDRICH, NSC81347, EINECS 210-912-2, ZINC01574400, TL8004194, InChI=1/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H

Molecular Formula: C6H9NMolecular Weight: 95.142360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MFFMQGGZCLEMCI-UHFFFAOYSA-N

• 4-Ethylcyclohexanone
IUPAC Name: 4-ethylcyclohexan-1-one | CAS Registry Number: 5441-51-0
Synonyms: Ambap52, Cyclohexanone, 4-ethyl-, 129380_ALDRICH, 46112_FLUKA, NSC21120, EINECS 226-629-2, ZINC01577378

Molecular Formula: C8H14OMolecular Weight: 126.196160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OKSDJGWHKXFVME-UHFFFAOYSA-N

• 2,5-Dibromopyrazine
IUPAC Name: 2,5-dibromopyrazine | CAS Registry Number: 23229-26-7
Synonyms: 2,5-dibromopyrazine, 3,6-Dibromopyrazine, PYRAZINE, 2,5-DIBROMO-, SBB054474, AG-E-67579, PubChem18033, 2,5-bis(bromanyl)pyrazine, KSC201Q1T, AGN-PC-009R7L, ACMC-209g24, CTK1A1819, ACN-S003291, ACT01742, ANW-25082, WTI-10858, ZINC15022219, AKOS004910669, AC-5181, PB17488, QC-6771

Molecular Formula: C4H2Br2N2Molecular Weight: 237.880080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KIYKHEOWZLJZSB-UHFFFAOYSA-N

• 3,4-Methylenedioxyacetophenone
IUPAC Name: 1-(1,3-benzodioxol-5-yl)ethanone | CAS Registry Number: 3162-29-6
Synonyms: 3',4'-(Methylenedioxy)acetophenone, MLS000515804, 274801_ALDRICH, NSC21866, EINECS 221-613-1, 1-(1,3-Benzodioxol-5-yl)ethanone, NSC 21866, SBB007858, ZINC00154661, FR-0469, 1-(1,3-Benzodioxol-5-yl)ethan-1-one, Ethanone, 1-(1,3-benzodioxol-5-yl)-, SMR000112277, AI3-30572

Molecular Formula: C9H8O3Molecular Weight: 164.158020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BMHMKWXYXFBWMI-UHFFFAOYSA-N

• 12-Crown-5(1,4,7,10,13-pentaoxacyclopentadencane)
IUPAC Name: 3,6,9,12-tetraoxacyclododecane | CAS Registry Number: 294-93-9
Synonyms: EOCT, 12-Crown-4, 12-Crown-4 ether, Ethylene oxide cyclic tetramer, 1,4,7,10-TETRAOXACYCLODODECANE, CCRIS 157, 194905_ALDRICH, CHEBI:32399, EINECS 206-036-5, CID9269, BRN 1363064, ZINC00155685, LS-148960, ST5308342, C-8590, 5-19-11-00334 (Beilstein Handbook Reference), 168081-54-7, 64491-37-8

Molecular Formula: C8H16O4Molecular Weight: 176.210240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XQQZRZQVBFHBHL-UHFFFAOYSA-N

• 3,5-Dinitroaniline
IUPAC Name: 3,5-dinitroaniline | CAS Registry Number: 618-87-1
Synonyms: 3,5-DINITROANILINE, Aniline, 3,5-dinitro-, Benzenamine, 3,5-dinitro-, CCRIS 3109, NSC284, D193402_ALDRICH, NSC 284, EINECS 210-567-8, CID12068, Benzenamine, 3,5-dinitro- (9CI), BRN 0648811, SBB003728, ZINC01555408, LS-19780, TL8003970, 4-12-00-01729 (Beilstein Handbook Reference), AO-800/41069722, InChI=1/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H

Molecular Formula: C6H5N3O4Molecular Weight: 183.121600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: MPBZUKLDHPOCLS-UHFFFAOYSA-N

• 4-Bromo-1H-pyrazol-5-amine
IUPAC Name: 4-bromo-1H-pyrazol-5-amine | CAS Registry Number: 16461-94-2
Synonyms: 3-Amino-4-bromopyrazole, ZINC02149952, CID140079, SBB005499, ZINC04240086, ST5408544, TL8001263

Molecular Formula: C3H4BrN3Molecular Weight: 161.987960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: OELYMZVJDKSMOJ-UHFFFAOYSA-N

• 4-Aminobenzonitrile
IUPAC Name: 4-aminobenzonitrile | CAS Registry Number: 873-74-5
Synonyms: 4-Cyanoaniline, p-Cyanoaniline, Benzonitrile, 4-amino-, Aniline, p-cyano-, Benzonitrile, p-amino-, P-AMINOBENZONITRILE, 1-Amino-4-cyanobenzene, para-aminobenzonitrile, WLN: ZR DCN, 147753_ALDRICH, C7H6N2, Benzonitrile, p-amino- (8CI), NSC 7625, 07010_FLUKA, EINECS 212-850-1, NSC7625, AIDS020236, AIDS-020236, BRN 0774507, BENZOIC ACID,4-AMINO,NITRILE

Molecular Formula: C7H6N2Molecular Weight: 118.135940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YBAZINRZQSAIAY-UHFFFAOYSA-N

• 2-Amino-5-Bromo Pyridine
IUPAC Name: 5-bromopyridin-2-amine | CAS Registry Number: 1072-97-5
Synonyms: 2-Amino-5-bromopyridine, 5-bromopyridin-2-amine, 5-Bromo-2-pyridylamine, Maybridge1_001149, 5-bromopyridin-2-ylamine, 2-Pyridinamine, 5-bromo-, 122858_ALDRICH, EINECS 214-019-9, NSC26282, SBB003823, TL806353, LS-184905, AJ-333/25022117

Molecular Formula: C5H5BrN2Molecular Weight: 173.010600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WGOLHUGPTDEKCF-UHFFFAOYSA-N

• 4-Octyloxybenzaldehyde
IUPAC Name: 4-octoxybenzaldehyde | CAS Registry Number: 24083-13-4
Synonyms: p-Octyloxybenzaldehyde, Benzaldehyde, 4-(octyloxy)-, p-(Octyloxy)benzaldehyde, 4-(octyloxy)benzaldehyde, ALBB-005911, EINECS 246-012-1, SBB008008, FR-0746

Molecular Formula: C15H22O2Molecular Weight: 234.333980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KVOWZHASDIKNFK-UHFFFAOYSA-N

• 2-Bromo-9,9-dimethylfluorene
IUPAC Name: 2-bromo-9,9-dimethylfluorene | CAS Registry Number: 28320-31-2
Synonyms: 9,9-Dimethyl-2-bromofluorene, SBB059717, AG-E-90829, 2-BROMO-9,9-DIMETHYL-9H-FLUORENE, SureCN24408, KSC494Q3R, Jsp005441, 2-Bromo-9,9-dimethyl fluorene, CTK3J4838, MolPort-003-986-713, ANW-26368, ZINC54962115, AKOS015835420, AC-4891, RP15215, AK-25705, KB-21658, R491, TL8002249, AM20040090

Molecular Formula: C15H13BrMolecular Weight: 273.167720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MBHPOBSZPYEADG-UHFFFAOYSA-N

• 2,2'-Dibromobiphenyl
IUPAC Name: 1-bromo-2-(2-bromophenyl)benzene | CAS Registry Number: 13029-09-9
Synonyms: o,o'-Dibromobiphenyl, Biphenyl, 2,2'-dibromo-, 2,2'-Dibromo-biphenyl, 1,1'-Biphenyl, 2,2'-dibromo-, NCIOpen2_009916, NSC91566, CHEBI:103274, CID83060, Biphenyl, 2,2'-dibromo- (8CI), NSC 91566, 1,1'-Biphenyl, 2,2'-dibromo- (9CI), InChI=1/C12H8Br2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8

Molecular Formula: C12H8Br2Molecular Weight: 311.999920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DRKHIWKXLZCAKP-UHFFFAOYSA-N

• 4-N-Hexyloxybromobenzene
IUPAC Name: 1-bromo-4-hexoxybenzene | CAS Registry Number: 30752-19-3
Synonyms: p-Hexyloxybromobenzene, 4-Hexyloxybromobenzene, 1-Bromo-4-hexyloxybenzene, Benzene, 1-bromo-4-(hexyloxy)-, CID520492, SBB008641, ZINC02555765, FR-2360

Molecular Formula: C12H17BrOMolecular Weight: 257.166780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GKLMJONYGGTHHM-UHFFFAOYSA-N

• 4-Butylbenzonitrile
IUPAC Name: 4-butylbenzonitrile | CAS Registry Number: 20651-73-4
Synonyms: Benzonitrile,4-butyl-, 527777_ALDRICH, ZINC02169280, CID140730, TL 00747

Molecular Formula: C11H13NMolecular Weight: 159.227620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KGZNJCXNPLUEQS-UHFFFAOYSA-N

• 2,5,6-Trimethylbenzoxazole
IUPAC Name: 2,5,6-trimethyl-1,3-benzoxazole | CAS Registry Number: 19219-98-8
Synonyms: NCIOpen2_000599, Benzoxazole, 2,5,6-trimethyl-, NSC73186, CID87965, EINECS 242-887-9, NSC 73186, ZINC00394635, ST5405761

Molecular Formula: C10H11NOMolecular Weight: 161.200440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PDVDINPEWGXOHX-UHFFFAOYSA-N

• 1-Allyl-1H-indole-2,3-dione
IUPAC Name: 1-prop-2-enylindole-2,3-dione | CAS Registry Number: 830-74-0
Synonyms: 1-allyl-1H-indole-2,3-dione, ZINC02026703, SBB006834, CID1713563, GL-0483, AH-357/04340008

Molecular Formula: C11H9NO2Molecular Weight: 187.194660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZWNYDPBLEDGGQD-UHFFFAOYSA-N

• 3-Nitro Cinnamic Acid
IUPAC Name: (Z)-3-(3-nitrophenyl)prop-2-enoic acid | CAS Registry Number: 555-68-0
Synonyms: m-Nitrocinnamic acid, Cinnamic acid, m-nitro, Cinnamic acid, m-nitro-, NSC5408, 2-Propenoic acid, 3-(3-nitrophenyl)-

Molecular Formula: C9H7NO4Molecular Weight: 193.156180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WWXMVRYHLZMQIG-PLNGDYQASA-N

• 2-Mercaptothiophene
IUPAC Name: thiophene-2-thiol | CAS Registry Number: 7774-74-5
Synonyms: 2-Thiophenethiol, Thienylmercaptan, 2-Thienylthiol, Thiophene-2-thiol, 2-Thienyl mercaptan, 2-Thienyl hydrosulfide, alpha-Thienyl mercaptan, W306207_ALDRICH, FEMA No. 3062, EINECS 231-881-1, ZINC02169156, KM 01273, TL806213

Molecular Formula: C4H4S2Molecular Weight: 116.204560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SWEDAZLCYJDAGW-UHFFFAOYSA-N

• 2-(Methylthio)ethylamine
IUPAC Name: 2-methylsulfanylethanamine | CAS Registry Number: 18542-42-2
Synonyms: S-Methylcysteamine, 2-Aminoethyl methyl sulfide, beta-Methylmercaptoethylamine, (2-(Methylthio)ethyl)amine, Ethanamine, 2-(methylthio)-, Ethylamine, 2-(methylthio)-, 632929_ALDRICH, 69325_FLUKA, CID87697, NSC65767, EINECS 242-412-5, CD 06838

Molecular Formula: C3H9NSMolecular Weight: 91.175260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: CYWGSFFHHMQKET-UHFFFAOYSA-N

• 2,3-Diaminonaphthalene
IUPAC Name: naphthalene-2,3-diamine | CAS Registry Number: 771-97-1
Synonyms: 2,3-Naphthalenediamine, 2,3-Naphthylenediamine, D2757_SIAL, 88461_FLUKA, EINECS 212-241-0, NSC 62692, NSC62692, SBB000127, ZINC00134238, LS-170545, C026373, InChI=1/C10H10N2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H,11-12H, DAN

Molecular Formula: C10H10N2Molecular Weight: 158.199800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XTBLDMQMUSHDEN-UHFFFAOYSA-N

• 4-Biphenylethanol
IUPAC Name: 1-(4-phenylphenyl)ethanol | CAS Registry Number: 3562-73-0
Synonyms: Diascleril, Difencol, Drucoles, 1-(4-Biphenylyl)ethanol, 4-Biphenyl methyl carbinol, 4-Biphenylyl methyl carbinol, .alpha.-Methyl-4-biphenylmethanol, NSC58063, EINECS 222-629-1, 4-Biphenylmethanol, .alpha.-methyl-, alpha-Methyl(1,1'-biphenyl)-4-methanol, AI3-08509, ST5411007, (1,1'-Biphenyl)-4-methanol, alpha-methyl-, [1,1'-Biphenyl]-4-methanol, .alpha.-methyl-

Molecular Formula: C14H14OMolecular Weight: 198.260360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GOISDOCZKZYADO-UHFFFAOYSA-N


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