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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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• 2,5-Dimethylbenzylamine
IUPAC Name: (2,5-dimethylphenyl)methanamine | CAS Registry Number: 93-48-1
Synonyms: 1-(2,5-dimethylphenyl)methanamine, EINECS 202-250-8, Benzenemethanamine, 2,5-dimethyl-, ALBB-005353, CID66735, STK500492, BBV-058645

Molecular Formula: C9H13NMolecular Weight: 135.206220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LUJNPFWZXIGIPS-UHFFFAOYSA-N

• 2,3-Dimethylbenzylamine
IUPAC Name: (2,3-dimethylphenyl)methanamine | CAS Registry Number: 51586-20-0
Synonyms: (2,3-dimethylphenyl)methanamine, 2,3-dimethylbenzyl amine, 1-(2,3-dimethylphenyl)methanamine, (2,3-dimethylphenyl)methylamine, SBB017637, AC1MCTW6, SureCN15997, 2,3-Dimethyl-benzylamine, 3-(Aminomethyl)-o-xylene, AC1Q2DP9, CHEMBL268979, CTK4J4530, Benzenemethanamine,2,3-dimethyl-, MolPort-000-146-842, ALBB-006176, ANW-45287, CK1112, STK503753, AKOS000169465, AG-B-77461

Molecular Formula: C9H13NMolecular Weight: 135.206220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UKLRWOHZBISUMI-UHFFFAOYSA-N

• 4-n-Butylacetophenone
IUPAC Name: 1-(4-butylphenyl)ethanone | CAS Registry Number: 37920-25-5
Synonyms: 4'-Butylacetophenone, p-Butylacetophenone, p-n-Butylacetophenone, Ethanone, 1-(4-butylphenyl)-, 1-(4-Butylphenyl)ethanone, 389250_ALDRICH, 1-(4-Butylphenyl)ethan-1-one, ALBB-002839, EINECS 253-715-7, ZINC02146983, ST5406966

Molecular Formula: C12H16OMolecular Weight: 176.254840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MQESVSITPLILCO-UHFFFAOYSA-N

• 2,5-Dimethylbenzonitrile
IUPAC Name: 2,5-dimethylbenzonitrile | CAS Registry Number: 13730-09-1
Synonyms: Benzonitrile, 2,5-dimethyl-, 2,5-Dimethylbenzonitril [German], EINECS 237-297-3, ZINC02242669, CID83688, LS-38697, InChI=1/C9H9N/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,1-2H

Molecular Formula: C9H9NMolecular Weight: 131.174460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OZOQTENKIVKILK-UHFFFAOYSA-N

• 2-Chloro-4-nitrobenzoyl chloride
IUPAC Name: 2-chloro-4-nitrobenzoyl chloride | CAS Registry Number: 7073-36-1
Synonyms: Ambap4950, Benzoyl chloride, 2-chloro-4-nitro-, ZINC02510105, CID81522, EINECS 230-367-4, InChI=1/C7H3Cl2NO3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3

Molecular Formula: C7H3Cl2NO3Molecular Weight: 220.009620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KTHNITVDTYAHFF-UHFFFAOYSA-N

• 4-Aminobenzamide
IUPAC Name: 4-aminobenzamide | CAS Registry Number: 2835-68-9
Synonyms: p-Aminobenzamide, Benzamide, 4-amino-, p-Carbamoylaniline, Benzamide, p-amino-, para-aminobenzamide, p-Aminobenzoic acid amide, CCRIS 6792, Oprea1_069284, Benzamide, p-amino- (8CI), 284572_ALDRICH, EINECS 220-612-3, NSC 36963, NSC 233920, NSC36963, NSC233920, ZINC00157169, LS-166276, ST5213825, TL8002252, C041338

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

InChIKey: QIKYZXDTTPVVAC-UHFFFAOYSA-N

• 4-Benzyloxyiodobenzene
IUPAC Name: 1-iodo-4-phenylmethoxybenzene | CAS Registry Number: 19578-68-8
Synonyms: 1-(Benzyloxy)-4-iodobenzene, 1-benzyloxy-4-iodobenzene, 4-Iodobenzyloxybenzene, 4-Iodophenoxymethyl resin, 4-Iodophenol, polymer-bound, 1-iodo-4-phenylmethoxybenzene, AG-E-43129, ST51038517, ZINC00403505, ACMC-20amon, AC1LASTZ, 4-Benzyl-Oxyiodobenzene, SureCN74111, AC1Q4P8N, 532185_ALDRICH, 570788_ALDRICH, 4-iodo-1-(phenylmethoxy)benzene, CTK4E1852, 1-iodanyl-4-phenylmethoxy-benzene, MolPort-000-151-433

Molecular Formula: C13H11IOMolecular Weight: 310.130310 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MPWFGAWFTAZWKZ-UHFFFAOYSA-N

• 5-Chloro-2-Thiophenecarboxylic Acid Hydrazide
IUPAC Name: 5-chlorothiophene-2-carbohydrazide | CAS Registry Number: 351983-31-8
Synonyms: 5-chlorothiophene-2-carbohydrazide, 5-Chlorothiophene-2-carboxylic acid hydrazide, 5-Chloro-2-ThiophenecarboxylicAcidHydrazide, 5-Chloro-thiophene-2-carboxylic acid hydrazide, ZINC02574319, AC1MBWZF, PubChem16134, ACMC-20am4b, SureCN166992, 678619_ALDRICH, AC1Q54T5, CTK1C2024, MolPort-000-153-584, ALBB-002748, BBL016080, GEO-00808, STK315724, AKOS003235651, AG-A-84928, AG-F-21292

Molecular Formula: C5H5ClN2OSMolecular Weight: 176.624000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WVOBELBQWDRLMM-UHFFFAOYSA-N

• 2,4-Dichlorobenzylamine
IUPAC Name: (2,4-dichlorophenyl)methanamine | CAS Registry Number: 95-00-1
Synonyms: Benzylamine der, Benzylamine, 2,4-dichloro-, Benzenemethanamine, 2,4-dichloro-, D58406_ALDRICH, 35460_FLUKA, CID1485, AIDS107210, AIDS-107210, NSC25064, EINECS 202-382-6, Benzylamine, 2,4-dichloro- (8CI), NSC 25064, 2, 4-Dichlorobenzylamine hydrochloride, BBR-007385, 73728-66-2 (HYDROCHLORIDE), InChI=1/C7H7Cl2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H

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

InChIKey: SJUKJZSTBBSGHF-UHFFFAOYSA-N

• 2,4-Dichlorobenzonitrile
IUPAC Name: 2,4-dichlorobenzonitrile | CAS Registry Number: 6574-98-7
Synonyms: Benzonitrile, 2,4-dichloro-, EINECS 229-493-2, ZINC00060121, TL806249, A0770/0036015

Molecular Formula: C7H3Cl2NMolecular Weight: 172.011420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GRUHREVRSOOQJG-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

• 5,6-Dimethoxyindole
IUPAC Name: 5,6-dimethoxy-1H-indole | CAS Registry Number: 14430-23-0
Synonyms: 5,6-Dimethoxy-1H-indole, 1H-Indole, 5,6-dimethoxy-, 246255_ALDRICH, EINECS 238-402-5, ZINC00388571, ST5407221, D-4320

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QODBZRNBPUPLEZ-UHFFFAOYSA-N

• 5-Chloro-1,3-benzodioxole
IUPAC Name: 5-chloro-1,3-benzodioxole | CAS Registry Number: 7228-38-8
Synonyms: Ambap1689, 1,3-benzodioxole, 5-chloro-, 296481_ALDRICH, NSC400867, ZINC00409300, InChI=1/C7H5ClO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H

Molecular Formula: C7H5ClO2Molecular Weight: 156.566400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ODQPZHOXLYATLC-UHFFFAOYSA-N

• 3,5-Dichloro O-Aminobenzoic Acid
IUPAC Name: 2-amino-3,5-dichlorobenzoic acid | CAS Registry Number: 2789-92-6
Synonyms: 3,5-Dichloroanthranilic acid, 2-Amino-3,5-dichlorobenzoic acid, Anthranilic acid, 3,5-dichloro-, WLN: ZR BG DG FVQ, 3,5-Dichloro-2-aminobenzoic acid, Oprea1_154427, D56004_ALDRICH, Benzoic acid, 2-amino-3,5-dichloro-, NSC1116, NSC 1116, EINECS 220-520-3, AIDS049799, AIDS-049799, BRN 0779100, AI3-17890, LS-20486, Benzoic acid, 2-amino-3,5-dichloro- (9CI), 3-14-00-00966 (Beilstein Handbook Reference), A0960/0044821, InChI=1/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12

Molecular Formula: C7H5Cl2NO2Molecular Weight: 206.026100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: KTHTXLUIEAIGCD-UHFFFAOYSA-N

• 4-Chlorophenylpropionic acid
IUPAC Name: 3-(4-chlorophenyl)propanoic acid | CAS Registry Number: 2019-34-3
Synonyms: p-Chlorohydrocinnamic acid, 3-(4-Chlorophenyl)propionic acid, 4-Chlorobenzenepropanoic acid, 3-(4-Chlorophenyl)propanoic acid, 656151_ALDRICH, Benzenepropanoic acid, 4-chloro-, ZERO/008485, 3-(4-Chloro-phenyl)-propionic acid, BAS 13482298

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

InChIKey: BBSLOKZINKEUCR-UHFFFAOYSA-N

• 4-Chlorobenzyl isothiocyanate
IUPAC Name: 1-chloro-4-(isothiocyanatomethyl)benzene | CAS Registry Number: 3694-45-9
Synonyms: p-Chlorobenzyl isothiocyanate, WLN: SCN1R DG, ISOTHIOCYANIC ACID, p-CHLOROBENZYL ESTER, Benzene, 1-chloro-4-(isothiocyanatomethyl)-, NSC 221238, BRN 2085917, NSC221238, ZINC01755942, Toluene, p-chloro-alpha-isothiocyanato-, 1-Chloro-4-(isothiocyanatomethyl)benzene, FS000006, LS-86402, Toluene, p-chloro-alpha-isothiocyanato- (6CI), 4-12-00-02373 (Beilstein Handbook Reference), Benzene, 1-chloro-4-(isothiocyanatomethyl)- (9CI)

Molecular Formula: C8H6ClNSMolecular Weight: 183.657940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DEHXIHUIYSXZNH-UHFFFAOYSA-N

• 4-Bromo-2-Chlorobenzonitrile
IUPAC Name: 4-bromo-2-chlorobenzonitrile | CAS Registry Number: 154607-01-9
Synonyms: 4-Bromo-2-chlorobenzonitrile, 2-Chloro-4-bromobenzonitrile, 4-Bromo-2-chloro-benzonitrile, SBB065200, AG-E-02603, 4-bromo-2-chlorobenzenecarbonitrile, ZINC02390020, PubChem12801, ACMC-209db5, SureCN267151, KSC497G8D, 2-Chloro-4-bromobenzonitrile;, 4-Bromo-2-chlorobenzonitrile,, CTK3J7381, Benzonitrile, 4-bromo-2-chloro-, MolPort-002-317-206, ACN-S004486, ACT00398, ANW-21519, TD1119

Molecular Formula: C7H3BrClNMolecular Weight: 216.462420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AYQBMZNSJPVADT-UHFFFAOYSA-N

• 2-Amino-5-Methylbenzoic Acid
IUPAC Name: 2-amino-5-methylbenzoic acid | CAS Registry Number: 2941-78-8
Synonyms: 5-Methylanthranilic acid, 5-methylanthranilate, 2-Amino-5-methylbenzoic acid, 6-Amino-m-toluic acid, m-Toluic acid, 6-amino-, 5 - methylanthranilic acid, 419443_ALDRICH, 08403_FLUKA, Benzoic acid, 2-amino-5-methyl-, ALBB-006381, NSC39154, NSC50786, EINECS 220-932-3, CPD0-1488, SBB016389, FR-2396, InChI=1/C8H9NO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NBUUUJWWOARGNW-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-Bromo-3-methylphenol
IUPAC Name: 4-bromo-3-methylphenol | CAS Registry Number: 14472-14-1
Synonyms: 4-Bromo-m-cresol, Phenol, 4-bromo-3-methyl-, 440884_ALDRICH, AIDS017752, AIDS-017752, CID72857, EINECS 238-464-3, ZINC00120494, ST5188807, InChI=1/C7H7BrO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H

Molecular Formula: C7H7BrOMolecular Weight: 187.033880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GPOQODYGMUTOQL-UHFFFAOYSA-N

• 4,5-Dimethoxy-2-nitrotoluene
IUPAC Name: 1,2-dimethoxy-4-methyl-5-nitrobenzene | CAS Registry Number: 7509-11-7
Synonyms: Ambap2083, 1,2-Dimethoxy-4-methyl-5-nitrobenzene, NSC105304, NSC407251, ZINC01686237

Molecular Formula: C9H11NO4Molecular Weight: 197.187940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: BNJRARLHTLUQCH-UHFFFAOYSA-N

• 4-Ethylphenylacetonitrile
IUPAC Name: 2-(4-ethylphenyl)acetonitrile | CAS Registry Number: 51632-28-1
Synonyms: ZINC02390025, CID142867

Molecular Formula: C10H11NMolecular Weight: 145.201040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NCPKDFDQDZMXCO-UHFFFAOYSA-N

• 4-(N,N-Dimethylamino)phenyl isothiocyanate
IUPAC Name: 4-isothiocyanato-N,N-dimethylaniline | CAS Registry Number: 2131-64-8
Synonyms: p-(Dimethylamino)phenyl isothiocyanate, WLN: SCNR DN1&1, 4-Isothiocyanato-N,N-dimethylaniline, 4-(Dimethylamino)phenyl isothiocyanate, Benzenamine, 4-isothiocyanato-N,N-dimethyl-, EINECS 218-360-4, TL 1106, p-(N-Dimethylamino)phenyl isothiocyanate, NSC 196179, CID75047, BRN 0388270, NSC196179, ZINC00164253, Isothiocyanic acid, p-dimethylaminophenyl ester, LS-86414, ST5409217, Isothiocyanic acid, p-(dimethylamino)phenyl ester, 4-13-00-00173 (Beilstein Handbook Reference), Benzenamine, 4-isothiocyanato-N,N-dimethyl- (9CI), InChI=1/C9H10N2S/c1-11(2)9-5-3-8(4-6-9)10-7-12/h3-6H,1-2H

Molecular Formula: C9H10N2SMolecular Weight: 178.254100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HRDJPEMAGYHSJR-UHFFFAOYSA-N

• 4-[3,5-Bis(trifluoromethyl)phenyl]-3-thiosemicarbazide
IUPAC Name: 1-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiourea | CAS Registry Number: 38901-31-4
Synonyms: SBB017846, 1-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiourea, {[3,5-bis(trifluoromethyl)phenyl]amino}hydrazinomethane-1-thione, ZINC04241006, AC1MC50I, CTK4I0619, MolPort-001-773-104, AKOS015852917, KB-85220, FT-0617350, ST51041667, A824323, 3-amino-1-[3,5-bis(trifluoromethyl)phenyl]thiourea, I09-2768, 1-azanyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea, 4-[3,5-Bis(trifluoromethyl)phenyl]-3-thiosemicabazide, Hydrazinecarbothioamide,N-[3,5-bis(trifluoromethyl)phenyl]-

Molecular Formula: C9H7F6N3SMolecular Weight: 303.227399 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: NCYLHRNUKHCMDE-UHFFFAOYSA-N

• 3,3'-Bianisole
IUPAC Name: 1-methoxy-3-(3-methoxyphenyl)benzene | CAS Registry Number: 6161-50-8
Synonyms: 3,3'-Dimethoxybiphenyl, Biphenyl, 3,3'-dimethoxy-, D133205_ALDRICH, 1,1'-Biphenyl, 3,3'-dimethoxy-, 3,3'-Dimethoxy-1,1'-biphenyl, NSC60032, 3,3'-DIMETHOXY BIPHENYL, CID80265, EINECS 228-187-6, ZINC00057148, LT03333409, S01-0385

Molecular Formula: C14H14O2Molecular Weight: 214.259760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UCHNVSDXSPIKRG-UHFFFAOYSA-N

• 4-(benzyloxy)benzonitrile
IUPAC Name: 4-phenylmethoxybenzonitrile | CAS Registry Number: 52805-36-4
Synonyms: 4-Benzyloxybenzonitrile, 4-phenylmethoxybenzonitrile, Benzonitrile, 4-(phenylmethoxy)-, ST50408391, 4-(phenylmethoxy)benzenecarbonitrile, ZINC00076272, 4-Benzyloxy-benzonitrile, AC1LBO7L, Maybridge1_005982, Benzonitrile analogue, 5a, ACMC-209l1v, SureCN403151, AC1Q4RS5, Oprea1_847556, AGN-PC-008M07, CHEMBL2204754, 4-phenylmethoxybenzenecarbonitrile, CTK1D4900, HMS558H20, MolPort-000-145-549

Molecular Formula: C14H11NOMolecular Weight: 209.243240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UDAOJHAASAWVIQ-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

• 3-(2-Fluorophenyl)propionic acid
IUPAC Name: 3-(2-fluorophenyl)propanoate | CAS Registry Number: 1643-26-1
Synonyms: ZINC02574331, CID2063865

Molecular Formula: C9H8FO2-Molecular Weight: 167.157023 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GUZLQEOSDXLCKX-UHFFFAOYSA-M

• 4-(N,N-Dimethylamino)azobenzene-4'-isothiocyanate
IUPAC Name: 4-(4-isothiocyanatophenyl)diazenyl-N,N-dimethylaniline | CAS Registry Number: 7612-98-8
Synonyms: DABITC, 39065_FLUKA, 317802_SIAL, EINECS 231-521-3, ZINC04244747, ZINC04261974, 4-(Dimethylamino)azobenzene-4'-isothiocyanate, 4-(4-Isothiocyanatophenylazo)-N,N-dimethylaniline, 4-(N,N-Dimethylaminoazobenzene)-4'-isothiocyanate, 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline

Molecular Formula: C15H14N4SMolecular Weight: 282.363460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OSWZKAVBSQAVFI-UHFFFAOYSA-N

• 2,5-Dichloro-3-Nitrobenzoic Acid
IUPAC Name: 2,5-dichloro-3-nitrobenzoic acid | CAS Registry Number: 88-86-8
Synonyms: DINOBEN, Caswell No. 312, 2,5-Dichloro-3-nitrobenzoic acid, 2,5-Dichloro-4-nitrobenzoic acid, 3-Nitro-2,5-dichlorobenzoic acid, 429848_ALDRICH, Benzoic acid, 2,5-dichloro-3-nitro-, EINECS 201-862-2, CID6951, EPA Pesticide Chemical Code 028101, BRN 1976119, STK377468, Kyselina 2,5-dichlor-3-nitrobenzoova, BBV-22159442, LS-36886, Kyselina 2,5-dichlor-3-nitrobenzoova [Czech], 2-09-00-00276 (Beilstein Handbook Reference), InChI=1/C7H3Cl2NO4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,(H,11,12

Molecular Formula: C7H3Cl2NO4Molecular Weight: 236.009020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: AUAXYMOBWXOEQD-UHFFFAOYSA-N

• 1-(3-Bromophenyl)-2-thiourea
IUPAC Name: (3-bromophenyl)thiourea | CAS Registry Number: 21327-14-0
Synonyms: ZINC02528129, CID2735619, T5447542

Molecular Formula: C7H7BrN2SMolecular Weight: 231.112880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: XBRVSIPVHYWULW-UHFFFAOYSA-N

• 2,5-Dimethoxyphenyl isothiocyanate
IUPAC Name: 2-isothiocyanato-1,4-dimethoxybenzene | CAS Registry Number: 40532-06-7
Synonyms: 474908_ALDRICH, BB_SC-1819, 2-Isothiocyanato-1,4-dimethoxybenzene, ZINC00164746

Molecular Formula: C9H9NO2SMolecular Weight: 195.238260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RADQLZMDTYWZKA-UHFFFAOYSA-N

• 5-Chloro-2-Methoxyphenylthiourea
IUPAC Name: (5-chloro-2-methoxyphenyl)thiourea | CAS Registry Number: 63980-69-8
Synonyms: Maybridge1_007226, NSC25002, BRN 2840488, STK374497, ZINC06018501, 1-(5-chloro-2-methoxyphenyl)thiourea, 1-(5-Chloro-2-methoxyphenyl)-2-thiourea, BBV-213165, CID2732660, Thiourea, (5-chloro-2-methoxyphenyl)-, Urea, 1-(5-chloro-2-methoxyphenyl)-2-thio-, LS-159533, 3-13-00-00847 (Beilstein Handbook Reference)

Molecular Formula: C8H9ClN2OSMolecular Weight: 216.687860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: SEMNHAXMORNHNR-UHFFFAOYSA-N

• 3,4-Dichlorothiobenzamide
IUPAC Name: 3,4-dichlorobenzenecarbothioamide | CAS Registry Number: 22179-73-3
Synonyms: 3,4-dichlorobenzenecarbothioamide, 3,4-dichlorobenzene-1-carbothioamide, SBB016509, amino(3,4-dichlorophenyl)methane-1-thione, ZINC02540602, AC1Q4ZYP, 3,4-dichloro-thiobenzamide, AC1M11KZ, CTK4E8850, MolPort-000-154-178, Benzenecarbothioamide,3,4-dichloro-, AKOS000273584, AG-B-92277, MCULE-3280313479, 3,4-bis(chloranyl)benzenecarbothioamide, KB-83863, ST50328456, EN300-59089, A815997, AS-871/43387266

Molecular Formula: C7H5Cl2NSMolecular Weight: 206.092300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: FLRBZGVTWSWQNV-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

• 1-(2,4-Difluorophenyl)-2-thiourea
IUPAC Name: (2,4-difluorophenyl)thiourea | CAS Registry Number: 175277-76-6
Synonyms: MLS000835023, (2,4-Difluorophenyl)thiourea, 654841_ALDRICH, N-(2,4-difluorophenyl)thiourea, NSC370368, SPB 06633, ZINC00127105, CID2734207, SMR000461639

Molecular Formula: C7H6F2N2SMolecular Weight: 188.197746 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DZZSKQFBAGZNSH-UHFFFAOYSA-N

• 2,4-Dichloro-6-hydroxybenzaldehyde
IUPAC Name: 2,4-dichloro-6-hydroxybenzaldehyde | CAS Registry Number: 78443-72-8
Synonyms: 2,4-dichloro-6-hydroxybenzaldehyde, 4,6-dichloro-2-hydroxybenzaldehyde, SBB017729, AG-H-14775, Benzaldehyde, 4,6-dichloro-2-hydroxy, ZINC02566019, 4,6-dichlorosalicylaldehyde, AC1LB34Z, AC1Q78KV, AC1Q6Q18, AC1Q789P, CTK5E5793, MolPort-000-154-030, 2,4-dichoro-6-hydroxybenzaldehyde, ANW-56276, AR-1D3530, AKOS006344438, Benzaldehyde,2,4-dichloro-6-hydroxy-, RP25049, AK-26332

Molecular Formula: C7H4Cl2O2Molecular Weight: 191.011460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XFYKHXQQNRESHU-UHFFFAOYSA-N

• 3-Chloro-2-Methylphenyl Isothiocyanate
IUPAC Name: 1-chloro-3-isothiocyanato-2-methylbenzene | CAS Registry Number: 19241-35-1
Synonyms: NSC134676, CID140504, ZINC00153304, Isothiocyanic acid, 3-chloro-o-tolyl ester, Benzene, 1-chloro-3-isothiocyanato-2-methyl-, T5297919

Molecular Formula: C8H6ClNSMolecular Weight: 183.657940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZXEZATIRZLJXFU-UHFFFAOYSA-N

• 3-Aminobiphenyl
IUPAC Name: 3-phenylaniline | CAS Registry Number: 2243-47-2
Synonyms: m-Aminobiphenyl, m-Phenylaniline, 3-Phenylaniline, 3-BIPHENYLAMINE, (3-phenyl-phenyl)-amine, [1,1'-Biphenyl]-3-amine, CCRIS 2820, (1,1'-Biphenyl)-3-amine, (1,1'-BIPHENYL)AMINE, CID16717, BRN 2206824, ZINC01746590, (1,1'-Biphenyl)-3-amine (9CI), LS-44122, ST5407606, 4-12-00-03238 (Beilstein Handbook Reference), 41674-04-8

Molecular Formula: C12H11NMolecular Weight: 169.222440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MUNOBADFTHUUFG-UHFFFAOYSA-N

• 4-tert-Butylbenzhyrazide
IUPAC Name: 4-tert-butylbenzohydrazide | CAS Registry Number: 43100-38-5
Synonyms: 4-tert-Butylbenzhydrazide, 4-t-Butylbenzhydrazide, p-tert-Butylbenzohydrazide, Maybridge1_008514, 4-tert-Butylbenzohydrazide, Oprea1_041873, Oprea1_646607, 4-tert-Butylbenzoic hydrazide, 168114_ALDRICH, 4-tert-Butylbenzoic acid hydrazide, ARONIS002877, ALBB-001046, EINECS 256-090-9, CID123513, ZINC00115194, ST040112

Molecular Formula: C11H16N2OMolecular Weight: 192.257540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XYUFQWDLRLHUPB-UHFFFAOYSA-N

• 2,4,6-Trimethylfluorobenzene
IUPAC Name: 2-fluoro-1,3,5-trimethylbenzene | CAS Registry Number: 392-69-8
Synonyms: 1-Fluoro-2,4,6-trimethylbenzene, Benzene, 2-fluoro-1,3,5-trimethyl-, NSC10359, 2-Fluoro-1,3,5-trimethylbenzene, HAN00038, CID136234

Molecular Formula: C9H11FMolecular Weight: 138.182043 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZLGPNBBJPOBSLY-UHFFFAOYSA-N

• 2,3-Dichlorobenzylamine
IUPAC Name: (2,3-dichlorophenyl)methylazanium | CAS Registry Number: 39226-95-4
Synonyms: ZINC00404005, CID6951258

Molecular Formula: C7H8Cl2N+Molecular Weight: 177.051120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: JHBVZGONNIVXFJ-UHFFFAOYSA-O

• 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

• 3-Bromophenylacetic acid
IUPAC Name: 2-(3-bromophenyl)acetic acid | CAS Registry Number: 1878-67-7
Synonyms: M-BROMOPHENYLACETIC ACID, Benzeneacetic acid, 3-bromo-, (3-Bromophenyl)acetic acid, 288861_ALDRICH, CID74653, EINECS 217-522-1, FS000812, TL806174, ST5306960

Molecular Formula: C8H7BrO2Molecular Weight: 215.043980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KYNNBXCGXUOREX-UHFFFAOYSA-N

• 2-Amino-3-chloro-5-(trifluoromethyl)pyridine
IUPAC Name: 3-chloro-5-(trifluoromethyl)pyridin-2-amine | CAS Registry Number: 79456-26-1
Synonyms: 3-Chloro-5-(trifluoromethyl)pyridin-2-amine, 2-Amino-3-chloro-5-trifluoromethylpyridine, 3-Chloro-5-(trifluoromethyl)-2-pyridinamine, 2-Amino-3-chloro-5-trifluoropyridine, AG-G-86017, 3-chloro-5-(trifluoromethyl)-2-pyridylamine, PubChem2974, ACMC-1BCWJ, SureCN119730, AC1LCV49, KSC377A4D, 366080_ALDRICH, AC1Q52U5, CTK2H7041, WXNPZQIRDCDLJD-UHFFFAOYSA-, MolPort-000-145-987, 2,3,5-ACTF, BB_SC-9429, HMS1648N07, ACN-S002578

Molecular Formula: C6H4ClF3N2Molecular Weight: 196.557570 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: WXNPZQIRDCDLJD-UHFFFAOYSA-N

• (4-Chloro-3-Trifluoromethyl)Phenylthiourea
IUPAC Name: [4-chloro-3-(trifluoromethyl)phenyl]thiourea | CAS Registry Number: 207919-03-7
Synonyms: ST50825967, [4-chloro-3-(trifluoromethyl)phenyl]thiourea, 1-[4-Chloro-3-(trifluoromethyl)phenyl]thiourea, amino{[4-chloro-3-(trifluoromethyl)phenyl]amino}methane-1-thione, ZINC00156231, AC1MCT0Z, CTK4E5124, MolPort-001-775-733, SBB101471, AKOS005083312, AG-E-52640, MCULE-4498390960, KB-83658, 4-chloro-3-(trifluoromethyl)phenylthiourea, 1-[4-chloranyl-3-(trifluoromethyl)phenyl]thiourea, A814902, 1-[4-Chloro-3-(trifluoromethyl)phenyl]-2-thiourea, I09-2623

Molecular Formula: C8H6ClF3N2SMolecular Weight: 254.659850 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FVOYDWBFLHIQSS-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

• 2,4-Dichlorophenethylamine
IUPAC Name: 2-(2,4-dichlorophenyl)ethanamine | CAS Registry Number: 52516-13-9
Synonyms: 2-(2,4-Dichlorophenyl)ethanamine, 357502_ALDRICH, SBB003666, InChI=1/C8H9Cl2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H

Molecular Formula: C8H9Cl2NMolecular Weight: 190.069760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VHJKDOLGYMULOP-UHFFFAOYSA-N

• 2-Ethoxycarbonylphenyl Isothiocyanate
IUPAC Name: ethyl 2-isothiocyanatobenzoate | CAS Registry Number: 99960-09-5
Synonyms: Ethyl 2-isothiocyanatobenzoate, 2-Ethoxycarbonylphenyl isothiocyanate, 2-(ethoxycarbonyl)phenyl isothiocyanate, 2-isothiocyanatobenzoic acid ethyl ester, ZINC02168486, AC1LAXZF, ACMC-20aon5, 474959_ALDRICH, CTK5I0828, MolPort-000-155-080, BB_SC-1841, BBL010007, STK801395, AKOS003355347, MCULE-2595726889, 2-isothiocyanato-benzoic acid ethyl ester, KB-68608, FT-0612726, ST50825553, A846110

Molecular Formula: C10H9NO2SMolecular Weight: 207.248960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: TYEPWLJHQLYWSR-UHFFFAOYSA-N

• 2-(4-Chlorophenyl)Ethyl Isothiocyanate
IUPAC Name: 1-chloro-4-(2-isothiocyanatoethyl)benzene | CAS Registry Number: 17608-10-5
Synonyms: 591378_ALDRICH, 2-(4-Chlorophenethyl) isothiocyanate, ZINC02390111, 2-(4-Chlorophenethyl)isothiocyanate, 2-(4-Chlorophenethyl) isothicyanate, CID140257, 1-Chloro-4-(2-isothiocyanatoethyl)benzene, 2-(4-Chlorophenyl)ethyl isothiocyanate

Molecular Formula: C9H8ClNSMolecular Weight: 197.684520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MRJJYUJULSZFDV-UHFFFAOYSA-N


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