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Trans World Chemicals, Inc.

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Profile: Trans World Chemicals, Inc. specializes in the manufacturing of chemical intermediates. Our products include isothiocyanates, thioureas, amines, benzyl halides, carboxylic acids, nitriles and heterocycles.

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• 2-(3-Chlorophenyl)propionic acid
IUPAC Name: 3-(2-chlorophenyl)propanoic acid | CAS Registry Number: 1643-28-3
Synonyms: 3-(2-Chlorophenyl)propanoic acid, 3-(2-Chlorophenyl)propionic acid, 2-Chlorobenzenepropanoic acid, ARONIS013905, Benzenepropanoic acid, 2-chloro-, NSC28954, ST5408221, TL8001257, AJ-087/41885657

Molecular Formula: C9H9ClO2Molecular Weight: 184.619560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KZMDFTFGWIVSNQ-UHFFFAOYSA-N

• 3,5-Dichlorobenzylamine
IUPAC Name: (3,5-dichlorophenyl)methanamine | CAS Registry Number: 39989-43-0
Synonyms: Benzylamine der, (3,5-Dichlorophenyl)methanamine, Benzenemethanamine, 3,5-dichloro-, AIDS011105, AIDS-011105, 78335-91-8 (HYDROCHLORIDE), ST5408122

Molecular Formula: C7H7Cl2NMolecular Weight: 176.043180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ICIJWOWQUHHETJ-UHFFFAOYSA-N

• 2-Aminobenzamide
IUPAC Name: 2-aminobenzamide | CAS Registry Number: 88-68-6
Synonyms: Anthranilamide, o-Aminobenzamide, Aminobenzamide, Benzamide, 2-amino-, 2-AMINOBENZAMIDE, Benzamide, o-amino-, Anthranilimidic acid, 2-Carbamoylaniline, Anthranilamide (VAN), Anthranilic acid amide, o-Aminobenzamide (VAN), 2-Aminobenzamide (VAN), Anthranilimidic acid (VAN), Oprea1_246280, A89804_ALDRICH, Benzoic acid, 2-amino-, amide, Benzamide, o-amino- (VAN), HSDB 5261, MLS001066328, 2-AB

Molecular Formula: C7H8N2OMolecular Weight: 136.151220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PXBFMLJZNCDSMP-UHFFFAOYSA-N

• 2,3-Dimethoxyphenethylamine
IUPAC Name: 2-(2,3-dimethoxyphenyl)ethanamine | CAS Registry Number: 3213-29-4
Synonyms: 2-(2,3-Dimethoxyphenyl)ethanamine, 560448_ALDRICH, CID137858, BBV-053406

Molecular Formula: C10H15NO2Molecular Weight: 181.231600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XKBUFTXNLBWTFP-UHFFFAOYSA-N

• 4-(chloromethyl)biphenyl
IUPAC Name: 1-(chloromethyl)-4-phenylbenzene | CAS Registry Number: 1667-11-4
Synonyms: 4-Phenylbenzyl chloride, p-Phenylbenzyl chloride, 4-(Chloromethyl)biphenyl, 4-Chloromethylbiphenyl, 4-Cmb, BIPHENYL, 4-(CHLOROMETHYL)-, 4-(Chloromethyl)-1'-biphenyl, 1,1'-Biphenyl, 4-(chloromethyl)-, C52276_ALDRICH, 4-(Chloromethyl)-1,1'-biphenyl, EINECS 216-786-5, NSC 16277, NSC16277, BRN 1863327, LS-44284, 1,1'-Biphenyl, 4-(chloromethyl)- (9CI), 4-05-00-01861 (Beilstein Handbook Reference), T5290683

Molecular Formula: C13H11ClMolecular Weight: 202.679440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: HLQZCRVEEQKNMS-UHFFFAOYSA-N

• 3,4-Dimethoxy Cinnamic Acid
IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid | CAS Registry Number: 2316-26-9
Synonyms: Dimethyl caffeic acid, Dimethylcaffeic acid, Caffeic acid dimethyl ether, Spectrum5_000142, 3,4-DIMETHOXYCINNAMIC ACID, 3, 4-Dimethoxycinnamic acid, BSPBio_001672, SPECTRUM210567, MLS000570053, D133809_ALDRICH, SPECTRUM1505130, NSC4323, ARONIS023564, Cinnamic acid, 3,4-dimethoxy-, AIDS021439, AIDS-021439, ALBB-004705, NSC43569, (E)-3',4'-Dimethoxycinnamic acid, EINECS 238-801-4

Molecular Formula: C11H12O4Molecular Weight: 208.210580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HJBWJAPEBGSQPR-GQCTYLIASA-N

• 5-Amino-3-methylisoxazole
IUPAC Name: 3-methyl-1,2-oxazol-5-amine | CAS Registry Number: 14678-02-5
Synonyms: 5-Isoxazolamine, 3-methyl-, 3-Methylisoxazol-5-amine, 304271_ALDRICH, NSC93421, EINECS 238-719-9, SBB006539, ZINC01604212, SDCCGMLS-0066121.P001, InChI=1/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H

Molecular Formula: C4H6N2OMolecular Weight: 98.103240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FNXYWHTZDAVRTB-UHFFFAOYSA-N

• 2-Fluoro Thiobenzamide
IUPAC Name: 2-fluorobenzenecarbothioamide | CAS Registry Number: 75907-82-3
Synonyms: ZINC02540597, SBB016504, CID2734821, TL8006918

Molecular Formula: C7H6FNSMolecular Weight: 155.192643 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: IEMYDFIJEIAQCO-UHFFFAOYSA-N

• 5-Fluoro-2-methylphenylthiourea
IUPAC Name: (5-fluoro-2-methylphenyl)thiourea | CAS Registry Number: 16822-86-9
Synonyms: ZINC00102569, CID2732698, S 12850

Molecular Formula: C8H9FN2SMolecular Weight: 184.233863 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: NZTMKTPFNGHTJG-UHFFFAOYSA-N

• 1,4-Butane diisothiocyanate
IUPAC Name: 1,4-diisothiocyanatobutane | CAS Registry Number: 4430-51-7
Synonyms: 1,4-Diisothiocyanatobutane

Molecular Formula: C6H8N2S2Molecular Weight: 172.271120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RRSISCMPUAGVJN-UHFFFAOYSA-N

• 4-Aminobenzophenone
IUPAC Name: (4-aminophenyl)-phenylmethanone | CAS Registry Number: 1137-41-3
Synonyms: p-Benzoylaniline, p-Aminobenzophenone, Benzophenone, 4-amino-, 4-BENZOYLANILINE, Methanone, (4-aminophenyl)phenyl-, USAF A-233, WLN: ZR DVR, 4-Aminophenyl phenyl ketone, Oprea1_489892, A41402_ALDRICH, (4-aminophenyl)(phenyl)methanone, NSC 7665, EINECS 214-506-6, NSC7665, AIDS019993, AIDS-019993, BRN 0389292, SBB003574, ZINC00155146, AI3-03267

Molecular Formula: C13H11NOMolecular Weight: 197.232540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RBKHNGHPZZZJCI-UHFFFAOYSA-N

• 4-Fluorodiphenyl ether
IUPAC Name: 1-fluoro-4-(phenoxy)benzene | CAS Registry Number: 330-84-7
Synonyms: 1-Fluoro-4-phenoxybenzene, Benzene, 1-fluoro-4-phenoxy-, NSC51798, EINECS 206-357-0, ZINC01682864, ST5407234

Molecular Formula: C12H9FOMolecular Weight: 188.197663 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AODSTUBSNYVSSL-UHFFFAOYSA-N

• 4-Benzyloxybenzhydrazide
IUPAC Name: 4-phenylmethoxybenzohydrazide | CAS Registry Number: 128958-65-6
Synonyms: 4-(benzyloxy)benzohydrazide, ARONIS009996, ZINC01452228, STK119329, CID1526486, T5587819

Molecular Formula: C14H14N2O2Molecular Weight: 242.273160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LZMCSSDFZRJZIS-UHFFFAOYSA-N

• 4-Hydroxy Phenyl Acetic Acid Ethyl Ester
IUPAC Name: ethyl 2-(4-hydroxyphenyl)acetate | CAS Registry Number: 17138-28-2
Synonyms: Ethyl 4-hydroxyphenylacetate, ethyl (4-hydroxyphenyl)acetate, EINECS 241-197-5, ETHYL 4-HYDROXYBENZENEACETATE, ZINC00161638, Benzeneacetic acid, 4-hydroxy-, ethyl ester, (4-Hydroxy-phenyl)-acetic acid ethylester, ST5407272, Acetic acid, (p-hydroxyphenyl)-, ethyl ester, InChI=1/C10H12O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HYUPPKVFCGIMDB-UHFFFAOYSA-N

• 2-Chloro-1-fluoro-4-iodobenzene
IUPAC Name: 2-chloro-1-fluoro-4-iodobenzene | CAS Registry Number: 156150-67-3
Synonyms: 2-chloro-1-fluoro-4-iodobenzene, 3-Chloro-4-fluoroiodobenzene, 2-Chloro4-iodofluorobenzene, 1-chloro-2-fluoro-5-iodobenzene, 3-chloro-4-fluoro-1-iodobenzene, 1-fluoro-2-chloro-4-iodobenzene, PubChem3433, ACMC-20an6s, SureCN80311, AC1MC5A2, AC1Q4MI1, 2-chloro-4-iodofluorobenzene, CTK4C8968, MolPort-000-153-015, ACT07755, Benzene,2-chloro-1-fluoro-4-iodo-, SBB101766, ZINC00152693, AKOS009156592, AG-E-04801

Molecular Formula: C6H3ClFIMolecular Weight: 256.443893 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OMASDGWBVAVFQZ-UHFFFAOYSA-N

• 5-chloro-2-bromobenzoic acid
IUPAC Name: 2-bromo-5-chlorobenzoic acid | CAS Registry Number: 21739-93-5
Synonyms: 2-Bromo-5-chlorobenzoic acid, 6-Bromo-3-chlorobenzoic acid, 664022_ALDRICH, NSC128879, Benzoic acid, 2-bromo-5-chloro-, CID89027, EINECS 244-559-0, ST5408540, 936-08-3

Molecular Formula: C7H4BrClO2Molecular Weight: 235.462460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RBCPJQQJBAQSOU-UHFFFAOYSA-N

• 3,4-Dimethylphenethylamine
IUPAC Name: 2-(3,4-dimethylphenyl)ethanamine | CAS Registry Number: 17283-14-6
Synonyms: 2-(3,4-dimethylphenyl)ethanamine, 2-(3,4-Dimethylphenyl)Ethan-1-Amine, AC1L8YBF, AC1Q2LWO, SureCN718078, Benzeneethanamine,3,4-dimethyl-, CTK4D4377, MolPort-000-154-859, ANW-56162, SBB017647, AKOS005217793, AK-33676, KB-82954, C-5879, I05-1433

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

InChIKey: IQXUVSNUSQIQCJ-UHFFFAOYSA-N

• 3-Fluoro-1,2-xylene
IUPAC Name: 1-fluoro-2,3-dimethylbenzene | CAS Registry Number: 443-82-3
Synonyms: 3-Fluoro-o-xylene, o-Xylene, 3-fluoro-, 2,3-Dimethylfluorobenzene, 1-Fluoro-2,3-dimethylbenzene, WLN: FR B1 C1, Benzene, 1-fluoro-2,3-dimethyl-, NSC76081, EINECS 207-140-3, NSC 76081, CID96489, JRD-0178, BRN 2040955, Benzene, 1-fluoro-2,3-dimethyl- (9CI), LS-162610, TL80074004, 4-05-00-00925 (Beilstein Handbook Reference)

Molecular Formula: C8H9FMolecular Weight: 124.155463 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AWLDSXJCQWTJPC-UHFFFAOYSA-N

• 2,5-Dichlorofluorobenzene
IUPAC Name: 1,4-dichloro-2-fluorobenzene | CAS Registry Number: 348-59-4
Synonyms: Benzene,1,4-dichloro-2-fluoro-, Benzene, 1,4-dichloro-2-fluoro-, NSC10256, ST5405137, TL8002599

Molecular Formula: C6H3Cl2FMolecular Weight: 164.992423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BJQTYCQGIXZSNM-UHFFFAOYSA-N

• 4-Bromo-2-nitroanisole
IUPAC Name: 4-bromo-1-methoxy-2-nitrobenzene | CAS Registry Number: 33696-00-3
Synonyms: ZINC02516087, 4-bromo-1-methoxy-2-nitrobenzene, EINECS 251-642-5, CID118533, AN-584/43409808

Molecular Formula: C7H6BrNO3Molecular Weight: 232.031440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ORBHQHXVVMZIDP-UHFFFAOYSA-N

• 2-Bromoethylbenzene
IUPAC Name: 1-bromo-2-ethylbenzene | CAS Registry Number: 1973-22-4
Synonyms: o-Bromoethylbenzene, 20-Azacholesterol, Benzene, 1-bromo-2-ethyl-, 1-BROMO-2-ETHYLBENZENE, 343315_ALDRICH, CID16089, EINECS 217-823-8, OR4187, InChI=1/C8H9Br/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H

Molecular Formula: C8H9BrMolecular Weight: 185.061060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: HVRUGFJYCAFAAN-UHFFFAOYSA-N

• 4-Acetoxybenzaldehyde
IUPAC Name: (4-formylphenyl) acetate | CAS Registry Number: 878-00-2
Synonyms: p-Acetoxybenzaldehyde, 4-Formylphenyl acetate, p-Hydroxybenzaldehyde acetate, Benzaldehyde, 4-(acetyloxy)-, Benzaldehyde, p-hydroxy-, acetate, 242608_ALDRICH, ALBB-001396, CID70144, NSC40537, EINECS 212-898-3, NSC 40537, SBB008231, ZINC01672089, FR-1090, AI3-31884

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

InChIKey: SEVSMVUOKAMPDO-UHFFFAOYSA-N

• 3-(4-Bromophenyl)propionic acid
IUPAC Name: 3-(4-bromophenyl)propanoic acid | CAS Registry Number: 1643-30-7
Synonyms: 3-(4-bromophenyl)propanoic acid, 3-(4-bromophenyl)propanoicacid, 3-(4-bromo-phenyl)-propionic acid, SBB017617, AG-E-14151, PubChem19769, SureCN5455, AC1MC3PA, ACMC-1C0VM, 4-Bromophenylpropionic Acid, KSC494I3B, 595438_ALDRICH, benzenepropanoic acid, 4-bromo-, CHEMBL1829799, CTK3J4430, MolPort-000-152-357, 3-(4-bromophenyl) propionic acid, HMS1739G14, ACN-C000966, ACN-S004294

Molecular Formula: C9H9BrO2Molecular Weight: 229.070560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NCSTWHYWOVZDOC-UHFFFAOYSA-N

• 1-(4-Bromophenyl)imidazole
IUPAC Name: 1-(4-bromophenyl)imidazole | CAS Registry Number: 10040-96-7
Synonyms: 1-(4-Bromophenyl)-1H-Imidazole, AG-D-05455, zlchem 72, ZINC02528151, AC1MC3OV, SureCN132319, AC1Q24U4, CTK3J8914, ZLB0059, MolPort-000-152-305, 1H-Imidazole,1-(4-bromophenyl)-, ACT01996, ANW-47505, AKOS015835671, AB02390, RP27440, AK-32628, BR-32628, KB-48649, FT-0080594

Molecular Formula: C9H7BrN2Molecular Weight: 223.069280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SERULNRLZWOYPK-UHFFFAOYSA-N

• 5-Fluoro-2-methylphenyl isothiocyanate
IUPAC Name: 4-fluoro-2-isothiocyanato-1-methylbenzene | CAS Registry Number: 175205-39-7
Synonyms: ZINC00164807, CID519443, 4-Fluoro-2-isothiocyanato-1-methylbenzene, SB 01782

Molecular Formula: C8H6FNSMolecular Weight: 167.203343 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QVCYTKXGZLOVFA-UHFFFAOYSA-N

• 2-Phenylacetoacetonitrile
IUPAC Name: 3-oxo-2-phenylbutanenitrile | CAS Registry Number: 4468-48-8
Synonyms: Acetonitrile, phenylaceto, Phenylacetoacetonitrile, USAF PE-1, Phenyl aceto-acetonitrile, alpha-Acetylphenylacetonitrile, Acetoacetonitrile, 2-phenyl-, alpha-Phenylacetoacetonitrile, 1-Cyano-1-phenyl-2-propanone, alpha-Aceto-alpha-cyanotoluene, alpha-Acetylbenzeneacetonitrile, WLN: NCYR&V1, 3-Oxo-2-phenylbutanenitrile, Acetoacetonitrile, alpha-phenyl-, 3-oxo-2-phenyl-butanenitrile, alpha-Tolunitrile, alpha-acetyl-, .alpha.-Phenylacetoacetonitrile, Benzeneacetonitrile, alpha-acetyl-, 190659_ALDRICH, EINECS 224-737-4, ZERO/001697

Molecular Formula: C10H9NOMolecular Weight: 159.184560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KHNWFTMUBKJWRZ-UHFFFAOYSA-N

• 2-Aminothiazole HCl
IUPAC Name: 4,5-dihydro-1,3-thiazol-2-ylazanium chloride | CAS Registry Number: 3882-98-2
Synonyms: 2-AMINO-4-THIAZOLINE HCL, EINECS 223-416-6, LS-106, AI3-61003, 4,5-Dihydrothiazol-2-amine monohydrochloride, 2-Thiazolamine, 4,5-dihydro-, monohydrochloride

Molecular Formula: C3H7ClN2SMolecular Weight: 138.619080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CODJLHDDIDUKMD-UHFFFAOYSA-N

• 1-(3-Carboxyphenyl)-2-thiourea
IUPAC Name: 3-(carbamothioylamino)benzoate | CAS Registry Number: 37182-75-5
Synonyms: ZINC00337009, CID6946900

Molecular Formula: C8H7N2O2S-Molecular Weight: 195.218380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JRQJYVACDJEUDZ-UHFFFAOYSA-M

• 2,5-Diiodobenzoic Acid
IUPAC Name: 2,5-diiodobenzoic acid | CAS Registry Number: 14192-12-2
Synonyms: 2,5-Diiodobenzoic acid, 2,5-Dijodbenzoesaeure, 2,5-Dijodbenzoesaeure [German], 107905_ALDRICH, NSC97505, AKL-PFB-014682, BENZOIC ACID, 2,5-DIIODO-, NSC 97505, CID26549, BRN 2090444, STK390164, LS-37088, 4-09-00-01044 (Beilstein Handbook Reference)

Molecular Formula: C7H4I2O2Molecular Weight: 373.914400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NSKPFWAAYDFCFS-UHFFFAOYSA-N

• 4-Acetoxycinnamic acid
IUPAC Name: 3-(4-acetyloxyphenyl)prop-2-enoic acid | CAS Registry Number: 15486-19-8
Synonyms: p-Acetoxycinnamic acid, Cinnamic acid, p-hydroxy-, acetate, NSC40967, EINECS 239-512-6, NSC 40967, AI3-31929, 2-Propenoic acid, 3-(4-(acetyloxy)phenyl)-, 2-Propenoic acid, 3-[4-(acetyloxy)phenyl]-

Molecular Formula: C11H10O4Molecular Weight: 206.194700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BYHBHNKBISXCEP-UHFFFAOYSA-N

• 2,5-Dimethoxyphenylacetonitrile
IUPAC Name: 2-(2,5-dimethoxyphenyl)acetonitrile | CAS Registry Number: 18086-24-3
Synonyms: 2-(2,5-dimethoxyphenyl)acetonitrile, ZINC02565988, PubChem12527, AC1Q4DJG, AC1MBY58, SureCN11825653, CTK4D7728, MolPort-000-154-648, Benzeneacetonitrile,2,5-dimethoxy-, ANW-74720, SBB065011, AKOS006344166, AK-33795, KB-83270, AM20030199, FT-0637647, C-5360, I01-6685

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DBKDGRJAFWDOOJ-UHFFFAOYSA-N

• 1-Chloro-2,4-dimethylbenzene
IUPAC Name: 1-chloro-2,4-dimethylbenzene | CAS Registry Number: 95-66-9
Synonyms: 4-Chloro-m-xylene, m-Xylene, 4-chloro-, Benzene, 1-chloro-2,4-dimethyl-, MXYLENE4chloro, PubChem3639, AC1LAXVJ, ACMC-209rzq, SureCN144391, 4-CHLORO-META-XYLENE, 1-chloro-2,4-dimethyl-benzene, CTK5H7933, 2,4-DIMETHYLCHLOROBENZENE, MolPort-000-153-669, 1-chloranyl-2,4-dimethyl-benzene, ANW-40548, ZINC02528191, AKOS006228758, AG-A-48811, AG-L-25270, AS02702

Molecular Formula: C8H9ClMolecular Weight: 140.610060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UIEVCEQLNUHDIF-UHFFFAOYSA-N

• 2,5-Dimethoxybenzhydrazide
IUPAC Name: 2,5-dimethoxybenzohydrazide | CAS Registry Number: 17894-25-6
Synonyms: Ambap7657, 2,5-Dimethoxybenzohydrazide, ZINC02566098, CID140304

Molecular Formula: C9H12N2O3Molecular Weight: 196.203180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: CSGBXTAUNHUMQE-UHFFFAOYSA-N

• 5-Chloro-2-fluorotoluene
IUPAC Name: 4-chloro-1-fluoro-2-methylbenzene | CAS Registry Number: 452-66-4
Synonyms: Ambap417, 2-fluoro-5-chlorotoluene, 440094_ALDRICH, EINECS 207-204-0, Benzene, 4-chloro-1-fluoro-2-methyl-, AI3-52646, TL8003140

Molecular Formula: C7H6ClFMolecular Weight: 144.573943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JOXXHDGUTVUBDL-UHFFFAOYSA-N

• 4-Chlorodiphenylmethane
IUPAC Name: 1-chloro-4-(phenylmethyl)benzene | CAS Registry Number: 831-81-2
Synonyms: p-Chlorobenzylbenzene, 4-Chloroditan, p-Chlorodiphenylmethane, (p-Chlorophenyl)phenylmethane, 1-Benzyl-4-chlorobenzene, NCIOpen2_004778, Methane, (p-chlorophenyl)phenyl-, HSDB 2676, Methane, (4-chlorophenyl)phenyl-, Benzene, 1-chloro-4-(phenylmethyl)-, NSC83166, (4-CHLOROPHENYL)PHENYLMETHANE, NSC 83166, Methane, (p-chlorophenyl)phenyl- (8CI), AI3-22090, Benzene, 1-chloro-4-(phenylmethyl)- (9CI)

Molecular Formula: C13H11ClMolecular Weight: 202.679440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: NPOGRKGIBGKRNI-UHFFFAOYSA-N

• 3,5-Dimethoxy-4-hydroxyphenyl acetonitrile
IUPAC Name: 2-(4-hydroxy-3,5-dimethoxyphenyl)acetonitrile | CAS Registry Number: 42973-55-7
Synonyms: 2-(4-hydroxy-3,5-dimethoxyphenyl)acetonitrile, ST51041893, ZINC02528066, AC1MBY4B, CTK4I6849, MolPort-000-154-623, AKOS006344187, 3,5-dimethoxy-4-hydroxyphenylacetonitrile, KB-28750, FT-0639819, Benzeneacetonitrile,4-hydroxy-3,5-dimethoxy-, 2-(4-hydroxy-3,5-dimethoxyphenyl)ethanenitrile, 2-(3,5-dimethoxy-4-oxidanyl-phenyl)ethanenitrile, A826093

Molecular Formula: C10H11NO3Molecular Weight: 193.199240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UUEJSSNOWXNKAP-UHFFFAOYSA-N

• 2,6-Dichlorobenzyl Thiocyanate
IUPAC Name: (2,6-dichlorophenyl)methyl thiocyanate | CAS Registry Number: 7534-64-7
Synonyms: 2,6-Dichlorobenzyl thiocyanate, NSC118097, CID82034, EINECS 231-401-0, ZINC01707757

Molecular Formula: C8H5Cl2NSMolecular Weight: 218.103000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IBWINXSTXHFYMY-UHFFFAOYSA-N

• 4,5-Dimethoxy-2-nitrobenzyl alcohol
IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methanol | CAS Registry Number: 1016-58-6
Synonyms: 6-Nitroveratryl alcohol, 392847_ALDRICH, EINECS 213-806-4, SBB009964, ZINC00056870, InChI=1/C9H11NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-4,11H,5H2,1-2H

Molecular Formula: C9H11NO5Molecular Weight: 213.187340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: WBSCOJBVYHQOFB-UHFFFAOYSA-N

• 1-Bromo-4-chloro-2-fluorobenzene
IUPAC Name: 1-bromo-4-chloro-2-fluorobenzene | CAS Registry Number: 1996-29-8
Synonyms: 532703_ALDRICH, ST5405133, TL800742107

Molecular Formula: C6H3BrClFMolecular Weight: 209.443423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FPNVMCMDWZNTEU-UHFFFAOYSA-N

• 4-Chloro-2-iodoanisole
IUPAC Name: 4-chloro-2-iodo-1-methoxybenzene | CAS Registry Number: 52807-27-9
Synonyms: ZINC00167074, CID2800978

Molecular Formula: C7H6ClIOMolecular Weight: 268.479410 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CXXXAGIYCFOGHA-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

• 5-Bromo-2-fluorotoluene
IUPAC Name: 4-bromo-1-fluoro-2-methylbenzene | CAS Registry Number: 51437-00-4
Synonyms: 283495_ALDRICH, 17105_FLUKA, Benzene, 4-bromo-1-fluoro-2-methyl-, EINECS 257-202-9, ST5405489, TL8003405, InChI=1/C7H6BrF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H

Molecular Formula: C7H6BrFMolecular Weight: 189.024943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VXKYOKPNAXNAFU-UHFFFAOYSA-N

• 4-Ethoxy acetophenone
IUPAC Name: 1-(4-ethoxyphenyl)ethanone | CAS Registry Number: 1676-63-7
Synonyms: 4'-Ethoxyacetophenone, p-Ethoxyacetophenone, Acetophenone, p-ethoxy-, Acetophenone, 4'-ethoxy-, Ethanone, 1-(4-ethoxyphenyl)-, p-ETHOXY ACETOPHENONE, 275719_ALDRICH, 1-(4-Ethoxyphenyl)ethan-1-one, AIDS017977, AIDS-017977, EINECS 216-825-6, NSC403850, NSC406258, ZINC00159744, NSC 403850, NSC 406258, AI3-01029, ST5213455, InChI=1/C10H12O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-7H,3H2,1-2H

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

InChIKey: YJFNFQHMQJCPRG-UHFFFAOYSA-N

• 3,5-Dimethoxy-4-hydroxyphenylacetic acid
IUPAC Name: 2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid | CAS Registry Number: 4385-56-2
Synonyms: Homosyringic acid, Ambap4827, 631310_ALDRICH, EINECS 224-494-4, 4-Hydroxy-3,5-dimethoxyphenylacetic acid, 3,5-DIMETHOXY-4-HYDROXY-PHENYLACETIC ACID

Molecular Formula: C10H12O5Molecular Weight: 212.199280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: BQBQKSSTFGCRQL-UHFFFAOYSA-N

• 3,5-Dimethylphenyl Isothiocyanate
IUPAC Name: 1-isothiocyanato-3,5-dimethylbenzene | CAS Registry Number: 40046-30-8
Synonyms: 3,5-Dimethylphenyl isothiocyanate, 1-Isothiocyanato-3,5-dimethylbenzene, ZINC04255654, CID142406, T0507-3868

Molecular Formula: C9H9NSMolecular Weight: 163.239460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DSMXCADWIFIJEX-UHFFFAOYSA-N

• 5-Bromo-2-iodotoluene
IUPAC Name: 4-bromo-1-iodo-2-methylbenzene | CAS Registry Number: 116632-39-4
Synonyms: 528897_ALDRICH, FS000030

Molecular Formula: C7H6BrIMolecular Weight: 296.931010 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: GHTUADBHTFHMNI-UHFFFAOYSA-N

• 4-Benzhydryl-3-thiosemicarbazide
IUPAC Name: 1-amino-3-benzhydrylthiourea | CAS Registry Number: 21198-25-4
Synonyms: 3-amino-1-(diphenylmethyl)thiourea, ST51041846, ZINC02528173, AC1MC3BJ, 1-amino-3-benzhydrylthiourea, CTK4E6070, MolPort-000-151-306, 1-amino-3-(diphenylmethyl)thiourea, 1-azanyl-3-(diphenylmethyl)thiourea, AKOS005922890, KB-83723, Hydrazinecarbothioamide,N-(diphenylmethyl)-, FT-0638102, [(diphenylmethyl)amino]hydrazinomethane-1-thione, A815194, I09-2431

Molecular Formula: C14H15N3SMolecular Weight: 257.354000 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: BPZRVDYOCCVVPL-UHFFFAOYSA-N

• 1-(4-chlorophenyl)-1H-pyrrole
IUPAC Name: 1-(4-chlorophenyl)pyrrole | CAS Registry Number: 5044-38-2
Synonyms: 1-(4-Chlorophenyl)pyrrole, ChemDiv2_003440, Pyrrole, 1-(p-chlorophenyl)-, Maybridge1_002870, 1-(4-Chlorophenyl)-1H-pyrrole, 1H-Pyrrole, 1-(4-chlorophenyl)-, DivK1c_001622, 452947_ALDRICH, NB-178, NSC116796, AIDS126596, AIDS-126596, CID272425, ZINC00138294, NSC 116796, CDS1_000582, ST5405918, EU-0032749, InChI=1/C10H8ClN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8

Molecular Formula: C10H8ClNMolecular Weight: 177.630220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LTOQUFIOYDCJFJ-UHFFFAOYSA-N

• 2',5'-Dimethylacetophenone
IUPAC Name: 1-(2,5-dimethylphenyl)ethanone | CAS Registry Number: 2142-73-6
Synonyms: 2,5-Dimethylacetophenone, Acetophenone, 2',5'-dimethyl-, Ethanone, 1-(2,5-dimethylphenyl)-, NSC6325, 454265_ALDRICH, CID75061, NSC 6325, EINECS 218-399-7, ZINC01693403, 1-(2,5-Dimethylphenyl)ethan-1-one, Acetophenone, 2',5'-dimethyl- (8CI), AI3-01857, ST5331352, InChI=1/C10H12O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6H,1-3H

Molecular Formula: C10H12OMolecular Weight: 148.201680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AWKBVLVKQQRRFQ-UHFFFAOYSA-N

• 4,4'-Diisothiocyanatostilbene-2,2'-disulfonic acid
IUPAC Name: 5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid | CAS Registry Number: 53005-05-3
Synonyms: dids, CHEBI:4286, CHEBI:36511, AIDS002740, AIDS-002740, CID5281951, 4,4'-Diisothiocyanostilbene-2,2'-disulfonic acid, Diisothiocyanatostilbene-2,2-disulfonic acid, C11591, 4,4'-Diisothiocyanato-2,2'-stilbenedisulfonic acid, 4,4'-diisothiocyano-trans-stilbene-2,2'-disulfonic acid, 2,2'-ethene-1,2-diylbis(5-isothiocyanatobenzenesulfonic acid), 2,2'-(E)-ethene-1,2-diylbis(5-isothiocyanatobenzenesulfonic acid), 5,5'-diisothiocyanato-2,2'-(ethene-1,2-diyl)dibenzenesulfonic acid, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-isothiocyanato-, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-isothiocyanato-, 5,5'-diisothiocyanato-2,2'-[(1E)-ethene-1,2-diyl]dibenzenesulfonic acid

Molecular Formula: C16H10N2O6S4Molecular Weight: 454.520400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: YSCNMFDFYJUPEF-OWOJBTEDSA-N


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