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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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• 3-Bromo Benzyl Cyanide
IUPAC Name: 2-(3-bromophenyl)acetonitrile | CAS Registry Number: 31938-07-5
Synonyms: 3-Bromobenzyl cyanide, 3-Bromophenylacetonitrile, (3-Bromophenyl)acetonitrile, 260088_ALDRICH, EINECS 250-867-6, SBB006625, ZINC00409179, ACETONITRILE, (m-BROMOPHENYL)-, InChI=1/C8H6BrN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H

Molecular Formula: C8H6BrNMolecular Weight: 196.043940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UUZYFBXKWIQKTF-UHFFFAOYSA-N

• 4-Chlorophenylthiourea
IUPAC Name: (4-chlorophenyl)thiourea | CAS Registry Number: 3696-23-9
Synonyms: (4-Chlorophenyl)thiourea, 4-Chlorophenyl thiourea, N-(p-Chlorophenyl)thiourea, 1-(p-Chlorophenyl)thiourea, N-(4-Chlorophenyl)thiourea, 4-Chlorophenyl-2-thiourea, WLN: SUYZMR DG, 1-(p-Chlorophenyl)-2-thiourea, Thiourea, (4-chlorophenyl)-, NCIOpen2_000553, Thourea, (4-chlorophenyl)-, Urea, 1-(p-chlorophenyl)-2-thio-, Thiourea, N-(4-chlorophenyl)-, EINECS 223-022-4, NSC 72217, AIDS054367, AIDS-054367, NSC72217, BRN 0973258, Thourea, (4-chlorophenyl)- (9CI)

Molecular Formula: C7H7ClN2SMolecular Weight: 186.661880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: XVEFWRUIYOXUGG-UHFFFAOYSA-N

• 3,4-Dichloro Benzyl Amine
IUPAC Name: (3,4-dichlorophenyl)methanamine | CAS Registry Number: 102-49-8
Synonyms: Benzylamine der, 3,4-Dichlorobenzylamine, Benzylamine, 3,4-dichloro-, Benzenemethanamine, 3,4-dichloro-, D58600_ALDRICH, AIDS107223, AIDS-107223, NSC25065, EINECS 203-035-1, Benzylamine, 3,4-dichloro- (8CI), NSC 25065, 49552-34-3 (HYDROCHLORIDE), ST5406288, InChI=1/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H

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

InChIKey: IXHNFOOSLAWRBQ-UHFFFAOYSA-N

• 3,4-Dichlorophenyl Isothiocyanate
IUPAC Name: 1,2-dichloro-4-isothiocyanatobenzene | CAS Registry Number: 6590-94-9
Synonyms: 3,4-Dichlorophenyl isothiocyanate, 1,2-Dichloro-4-isothiocyanatobenzene, 475904_ALDRICH, EINECS 229-526-0, Benzene, 1,2-dichloro-4-isothiocyanato-, NSC 220236, CID23065, BRN 0511101, NSC220236, ZINC00164744, BBR-054910, LS-86413, TL80073710, ISOTHIOCYANIC ACID, 3,4-DICHLOROPHENYL ESTER, Benzene, 1,2-dichloro-4-isothiocyanato- (9CI), 4-12-00-01271 (Beilstein Handbook Reference)

Molecular Formula: C7H3Cl2NSMolecular Weight: 204.076420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OSBIEFWIIINTNJ-UHFFFAOYSA-N

• 4-(2-Furfuryl)-3-Thiosemicarbazide
IUPAC Name: 1-amino-3-(furan-2-ylmethyl)thiourea | CAS Registry Number: 96860-19-4
Synonyms: Maybridge1_008734, MLS001012207, STOCK2S-60426, 4-(2-Furfuryl)-3-thiosemicarbazide, CID722972, STK338156, ZINC00127505, ZINC13685440, FS000857, SMR000425252, N-(furan-2-ylmethyl)hydrazinecarbothioamide

Molecular Formula: C6H9N3OSMolecular Weight: 171.220160 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: SUKUNUQYDORCFO-UHFFFAOYSA-N

• 4-Chloro-2-Iodobenzoic Acid
IUPAC Name: 4-chloro-2-iodobenzoic acid | CAS Registry Number: 13421-13-1
Synonyms: 4-Chloro-2-iodobenzoic acid, 560146_ALDRICH, CID139452, T6260205

Molecular Formula: C7H4ClIO2Molecular Weight: 282.462930 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LRRDANNSUCQNDU-UHFFFAOYSA-N

• 3-Bromo-4-FluoroToluene
IUPAC Name: 2-bromo-1-fluoro-4-methylbenzene | CAS Registry Number: 452-62-0
Synonyms: 3-Bromo-4-fluorotoluene, NCIOpen2_001565, 337013_ALDRICH, NSC88313, EINECS 207-201-4, TL806370, ST5405286, InChI=1/C7H6BrF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H

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

InChIKey: QLRKALMVPCQTMU-UHFFFAOYSA-N

• 3,5-Dimethoxybenzoyl Hydrazine
IUPAC Name: 3,5-dimethoxybenzohydrazide | CAS Registry Number: 51707-38-1
Synonyms: 3,5-Dimethoxybenzoylhydrazine, AIDS018528, AIDS-018528, 3,5-Dimethoxybenzoic acid hydrazide, NSC525793, STK281624, ZINC00394889, 3,5-Dimethoxybenzoic acid, hydrazide, 3,5-DIMETHOXYBENZOIC HYDRAZIDE, Benzoic acid, 3,5-dimethoxy hydrazide, TL8003420

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

InChIKey: DOWVACHORBOSEF-UHFFFAOYSA-N

• 2,6-Dichlorophenylthiourea
IUPAC Name: (2,6-dichlorophenyl)thiourea | CAS Registry Number: 6590-91-6
Synonyms: MLS000835022, N-(2,6-dichlorophenyl)thiourea, ZINC00127101, Thiourea, (2,6-dichlorophenyl)-, CID722776, SPB 06631, SMR000461638, AI3-63140

Molecular Formula: C7H6Cl2N2SMolecular Weight: 221.106940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: KUQHRGMPBWZVQR-UHFFFAOYSA-N

• 2,3-Dimethylbromobenzene
IUPAC Name: 1-bromo-2,3-dimethylbenzene | CAS Registry Number: 576-23-8
Synonyms: 3-Bromo-o-xylene, 1-Bromo-2,3-dimethylbenzene, B83789_ALDRICH, Benzene, 1-bromo-2,3-dimethyl-, NSC76561, CID68472, EINECS 209-398-2, ST5406328, InChI=1/C8H9Br/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H

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

InChIKey: WLPXNBYWDDYJTN-UHFFFAOYSA-N

• 3-Brom-4-chlorobenzoic acid
IUPAC Name: 3-bromo-4-chlorobenzoic acid | CAS Registry Number: 42860-10-6
Synonyms: 3-Bromo-4-chlorobenzoic acid, 3-bromo-4-chloro-benzoic Acid, SBB017622, AG-F-52150, 42860-10-6 3-bromo-4-chlorobenzoic acid, PubChem3585, ACMC-1CUFE, AC1MC3JY, SureCN112432, KSC235M9L, 3-Bromo-4-chloro benzoic acid, 3-Bromo-4-chlorobenzoic acid,, 591580_ALDRICH, AC1Q738L, CTK1D5695, TIMTEC-BB SBB017622, MolPort-000-151-797, ACN-S004317, ACT00918, ANW-29880

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

InChIKey: NLEPZGNUPNMRGF-UHFFFAOYSA-N

• 1-Benzhydryl-2-thiourea
IUPAC Name: di(phenyl)methylthiourea | CAS Registry Number: 92192-94-4
Synonyms: NSC118958, ZINC01708765

Molecular Formula: C14H14N2SMolecular Weight: 242.339360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: ORTDRGIAWHXESM-UHFFFAOYSA-N

• 4-Chloro-2-Iodotoluene
IUPAC Name: 4-chloro-2-iodo-1-methylbenzene | CAS Registry Number: 33184-48-4
Synonyms: 4-Chloro-2-iodo-1-methylbenzene, Benzene, 4-chloro-2-iodo-1-methyl-, CID141766, BBV-2091920

Molecular Formula: C7H6ClIMolecular Weight: 252.480010 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ZIOGCIPQDRCAKY-UHFFFAOYSA-N

• 3,4-Dimethoxy Toluene
IUPAC Name: 1,2-dimethoxy-4-methylbenzene | CAS Registry Number: 494-99-5
Synonyms: Homoveratrole, 4-Methylveratrole, 3,4-Dimethoxytoluene, 4-Methylveratrol, Ambap1948, Toluene, 3,4-dimethoxy-, Benzene, 1,2-dimethoxy-4-methyl-, 1,2-Dimethoxy-4-methylbenzene, 4-Methyl-1,2-dimethoxybenzene, 163252_ALDRICH, 38822_FLUKA, NSC7378, Toluene, 3,4-dimethoxy- (8CI), CID68126, NSC 7378, EINECS 207-796-0, ZINC00388398, InChI=1/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H

Molecular Formula: C9H12O2Molecular Weight: 152.190380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GYPMBQZAVBFUIZ-UHFFFAOYSA-N

• 3,4-DifluoroBenzene
IUPAC Name: 1,2-difluoro-4-methylbenzene | CAS Registry Number: 2927-34-6
Synonyms: 3,4-Difluorotoluene, 337102_ALDRICH, D146, TL806266

Molecular Formula: C7H6F2Molecular Weight: 128.119346 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FZMPLKVGINKUJZ-UHFFFAOYSA-N

• 2-Bromoethyl isothiocyanate
IUPAC Name: 1-bromo-2-isothiocyanatoethane | CAS Registry Number: 1483-41-6
Synonyms: sGXDLLRaBRkTh@, 2-Bromoethyl isocyanate, 1-Bromo-2-isothiocyanatoethane, ZINC02528119

Molecular Formula: C3H4BrNSMolecular Weight: 166.039560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SGJVENMTWFTZOJ-UHFFFAOYSA-N

• 2,5-Dimethoxybenzylamine
IUPAC Name: (2,5-dimethoxyphenyl)methanamine | CAS Registry Number: 3275-95-4
Synonyms: Zilain, 2,5-Dimethoxybenzenemethanamine, Oprea1_013152, Oprea1_829210, CBDivE_001902, 540315_ALDRICH, Benzenemethanamine, 2,5-dimethoxy-, STOCK1S-07987, BENZYLAMINE, 2,5-DIMETHOXY-, ALBB-005346, CID18652, 1-(2,5-dimethoxyphenyl)methanamine, BRN 2362836, LS-43332

Molecular Formula: C9H13NO2Molecular Weight: 167.205020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UWMCHDDHXMFKMA-UHFFFAOYSA-N

• 4-Benzyloxyfluorobenzene
IUPAC Name: 1-fluoro-4-phenylmethoxybenzene | CAS Registry Number: 370-78-5
Synonyms: 1-(benzyloxy)-4-fluorobenzene, 1-benzyloxy-4-fluorobenzene, 1-benzyloxy-4-fluoro-benzene, 1-fluoro-4-phenylmethoxybenzene, ST51041664, ZINC02510656, AC1Q4MPL, ACMC-1BN8L, 4-(benzyloxy)fluorobenzene, AC1MC4L0, SureCN4337813, CTK4H7657, MolPort-000-151-432, 1-fluoro-4-(phenylmethoxy)benzene, 4-fluoro-1-(phenylmethoxy)benzene, 1-fluoranyl-4-phenylmethoxy-benzene, ANW-28553, SBB092946, Benzene,1-fluoro-4-(phenylmethoxy)-, AKOS008913289

Molecular Formula: C13H11FOMolecular Weight: 202.224243 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GOJNJAKUQZLPPP-UHFFFAOYSA-N

• 2-Brom-4-chlorobenzoic acid
IUPAC Name: 2-bromo-5-chlorobenzoic acid | CAS Registry Number: 936-08-3
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, 21739-93-5

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

InChIKey: RBCPJQQJBAQSOU-UHFFFAOYSA-N

• 2-Chlorothiobenzamide
IUPAC Name: 2-chlorobenzenecarbothioamide | CAS Registry Number: 15717-17-6
Synonyms: o-Chlorothiobenzamide, 2-Chlorobenzenecarbothioamide, Benzenecarbothioamide, 2-chloro-, STK400089, ZINC00166567, ZINC06095155, CID2734824, BBV-2069390

Molecular Formula: C7H6ClNSMolecular Weight: 171.647240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: FLQYOORLPNYQEV-UHFFFAOYSA-N

• 4-Ethoxybenzonitrile
IUPAC Name: 4-ethoxybenzonitrile | CAS Registry Number: 25117-74-2
Synonyms: p-Ethoxybenzonitrile, Benzonitrile, p-ethoxy-, Benzonitrile, 4-ethoxy-, 4-Ethoxybenzoic acid nitrile, 283568_ALDRICH, ZINC00409264, CID141176, T0520-2925, InChI=1/C9H9NO/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2H2,1H

Molecular Formula: C9H9NOMolecular Weight: 147.173860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PJRLUGQMEZZDIY-UHFFFAOYSA-N

• 1-(4-Fluorophenyl)Imidazoline-2-Thione
IUPAC Name: 3-(4-fluorophenyl)-1H-imidazole-2-thione | CAS Registry Number: 17452-07-2
Synonyms: 1-(4-Fluorophenyl)-1H-imidazole-2(3H)-thione, SBB066521, 1-(4-fluorophenyl)-1H-imidazole-2-thiol, F2147-0593, 1,3-Dihydro-1-(4-fluorophenyl)-2H-imidazole-2-thione, 1-(4-fluorophenyl)-4-imidazoline-2-thione, 2H-Imidazole-2-thione, 1-(4-fluorophenyl)-1,3-dihydro-, PubChem6504, AC1MC7D9, SCHEMBL6608437, GWYZXHXGBADGGC-UHFFFAOYSA-N, MolPort-000-155-856, MolPort-005-265-908, ZINC2528146, 9025AA, ANW-55649, MFCD00060483, 1-(4-fluorophenyl)imidazole-2-thiol, AKOS005208481, AKOS015897590

Molecular Formula: C9H7FN2SMolecular Weight: 194.227 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GWYZXHXGBADGGC-UHFFFAOYSA-N

• 4-tert-Butylphenyl isothiocyanate
IUPAC Name: 1-tert-butyl-4-isothiocyanatobenzene | CAS Registry Number: 19241-24-8
Synonyms: 4-t-Butylphenyl isothiocyanate, 1-tert-Butyl-4-isothiocyanatobenzene, ZINC00153333, CID140503, TL 00746

Molecular Formula: C11H13NSMolecular Weight: 191.292620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OCGNNCBNRBTUCG-UHFFFAOYSA-N

• 3-Amino-4-Methoxy Benzanilide
IUPAC Name: 3-amino-4-methoxy-N-phenylbenzamide | CAS Registry Number: 120-35-4
Synonyms: 3-Amino-p-anisanilide, p-Anisanilide, 3-amino-, 3-Amino-4-methoxybenzanilide, 3-Amino-4-methoxy benzanilide, WLN: 1OR BZ DVMR, Oprea1_563744, Benzamide, 3-amino-4-methoxy-N-phenyl-, NSC50647, EINECS 204-388-4, CID8426, NSC 50647, BENZANILIDE, 3-AMINO-4-METHOXY-, p-Anisanilide, 3-amino- (8CI), ZINC00157178, LS-27602, ST5409457

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

InChIKey: LHMQDVIHBXWNII-UHFFFAOYSA-N

• 2,5-Dimethoxychlorobenzene
IUPAC Name: 2-chloro-1,4-dimethoxybenzene | CAS Registry Number: 2100-42-7
Synonyms: Chlorohydroquinone dimethyl ether, Chloro-1,4-dimethoxybenzene, Benzene, 2-chloro-1,4-dimethoxy-, 1-Chloro-2,5-dimethoxybenzene, 2-Chloro-1,4-dimethoxybenzene, NSC60152, EINECS 218-267-9, NSC 60152, ZINC01690026, ST5405387

Molecular Formula: C8H9ClO2Molecular Weight: 172.608860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QMXZSRVFIWACJH-UHFFFAOYSA-N

• 2-Ethoxybenzonitrile
IUPAC Name: 2-ethoxybenzonitrile | CAS Registry Number: 6609-57-0
Synonyms: Benzonitrile, 2-ethoxy-, o-ETHOXYBENZONITRILE, 283576_ALDRICH, TPC-I023, ZINC00409265, BBV-083927, InChI=1/C9H9NO/c1-2-11-9-6-4-3-5-8(9)7-10/h3-6H,2H2,1H

Molecular Formula: C9H9NOMolecular Weight: 147.173860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DXTLCLWOCYLDHL-UHFFFAOYSA-N

• 2-Chloro-4-fluorotoluene
IUPAC Name: 2-chloro-4-fluoro-1-methylbenzene | CAS Registry Number: 452-73-3
Synonyms: Ambap22, 247693_ALDRICH, Benzene, 2-chloro-4-fluoro-1-methyl-, NSC88317, EINECS 207-209-8, ZINC00164825, C108, TL8003145

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

InChIKey: CSARJIQZOSVYHA-UHFFFAOYSA-N

• 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide
IUPAC Name: 1-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea | CAS Registry Number: 53068-24-9
Synonyms: Oprea1_190937, NSC176360, CID708468, ZINC00097087, S 02162

Molecular Formula: C11H17N3O2SMolecular Weight: 255.336580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: QQXGPRQIXQPVTQ-UHFFFAOYSA-N

• 4-Cyanophenyl Isothiocyanate
IUPAC Name: 4-isothiocyanatobenzonitrile | CAS Registry Number: 2719-32-6
Synonyms: 4-Cyanophenyl isothiocyanate, 4-Isothiocyanatobenzonitrile, p-Cyanophenyl isothiocyanate, Benzonitrile, 4-isothiocyanato-, 4-Isothiocyanatobenzenenitrile, 4-Cyano-phenyl-isothiocyanate, 484660_ALDRICH, EINECS 220-323-2, Benzenenitrile, 4-isothiocyanato-, CID17626, BRN 2802621, ZINC00152332, BBV-104658, Benzenenitrile, 4-isothiocyanato- (9CI), FS000068, ISOTHIOCYANIC ACID, p-CYANOPHENYL ESTER, LS-86408, 3-14-00-01135 (Beilstein Handbook Reference), InChI=1/C8H4N2S/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4, 28176-29-6

Molecular Formula: C8H4N2SMolecular Weight: 160.195760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DZFKAXLNKZXNHD-UHFFFAOYSA-N

• 3,5-Dichloro Benzonitrile
IUPAC Name: 3,5-dichlorobenzonitrile | CAS Registry Number: 6575-00-4
Synonyms: 3,5-Dichlorobenzonitrile, Benzonitrile, 3,5-dichloro-, 139394_ALDRICH, EINECS 229-495-3, NSC109596, ZINC00159427, AI3-34463, ST5308522, TL8004663, InChI=1/C7H3Cl2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3

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

InChIKey: PUJSUOGJGIECFQ-UHFFFAOYSA-N

• 2,6-Difluorophenyl isothiocyanate
IUPAC Name: 1,3-difluoro-2-isothiocyanatobenzene | CAS Registry Number: 207974-17-2
Synonyms: 1,3-difluoro-2-isothiocyanatobenzene, 2,6-difluorophenylisothiocyanate, SBB066525, 2,6-difluorobenzenisothiocyanate, OTAVA-BB 1055727, ZINC04255362, PubChem5021, ACMC-1CAUS, 511781_ALDRICH, AC1N1K13, CTK4E5135, MolPort-000-154-477, GEO-01061, AKOS005257619, 1,3-Difluoro-2-isothiocyanatobenzene;, AG-E-52678, AS00360, AS04357, MCULE-3935537297, Benzene,1,3-difluoro-2-isothiocyanato-

Molecular Formula: C7H3F2NSMolecular Weight: 171.167226 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: DBSXNGIBAKYMSS-UHFFFAOYSA-N

• 1-Bromo-2,4-dimethoxybenzene
IUPAC Name: 1-bromo-2,4-dimethoxybenzene | CAS Registry Number: 17715-69-4
Synonyms: 4-bromo-3-methoxyanisole, 157554_ALDRICH, Benzene, 1-bromo-2,4-dimethoxy-, EINECS 241-717-0, ZINC00056471, ST5307912, TL8001411

Molecular Formula: C8H9BrO2Molecular Weight: 217.059860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NIUZVSQOXJIHBL-UHFFFAOYSA-N

• 3,4-Dibromotoluene
IUPAC Name: 1,2-dibromo-4-methylbenzene | CAS Registry Number: 60956-23-2
Synonyms: Benzene, 1,2-dibromo-4-methyl-, NSC139879, CID34679, OR4513, I01-1538

Molecular Formula: C7H6Br2Molecular Weight: 249.930540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LDCPXNOCWDGYIU-UHFFFAOYSA-N

• 2,5-Dimethoxybenzyl chloride
IUPAC Name: 2-(chloromethyl)-1,4-dimethoxybenzene | CAS Registry Number: 3840-27-5
Synonyms: NSC156147, CID291194, ZINC02575256, 2-(chloromethyl)-1,4-dimethoxybenzene, ST5410950, AC-907/25125013

Molecular Formula: C9H11ClO2Molecular Weight: 186.635440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NJBICLSFUUJIDH-UHFFFAOYSA-N

• 4-Ethoxy Benzamide
IUPAC Name: 4-ethoxybenzamide | CAS Registry Number: 55836-71-0
Synonyms: p-Ethoxybenzamide, 4-Ethoxybenzamide, Benzamide, 4-ethoxy-, 288853_ALDRICH, EINECS 259-847-1, ZINC00409273, T5797256

Molecular Formula: C9H11NO2Molecular Weight: 165.189140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AZEIRPAUJXANCS-UHFFFAOYSA-N

• 4-Chloro-3-Fluorobenzotrifluoride
IUPAC Name: 1-chloro-2-fluoro-4-(trifluoromethyl)benzene | CAS Registry Number: 32137-20-5
Synonyms: 1-chloro-2-fluoro-4-(trifluoromethyl)benzene, 3-fluoro-4-chlorobenzotrifluoride, 4-Chloro-3-fluorobenzotrifluoride, 4-chloro-3-fluoroobenzotrifluoride, 1-chloro-2-fluoro-4-trifluoromethyl-benzene, AC1MC5TO, SureCN5756914, CTK6H1213, MolPort-000-152-974, ANW-55903, SBB092370, ZINC02528193, AKOS009158360, AG-A-60116, AM62323, LF10115, QC-7658, AK-53804, KB-31776, A5785

Molecular Formula: C7H3ClF4Molecular Weight: 198.545333 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: HKBWIKAFHCGRTH-UHFFFAOYSA-N

• 4-Tert-Butyl-3-Thiosemicarbazide
IUPAC Name: 1-amino-3-tert-butylthiourea | CAS Registry Number: 13431-39-5
Synonyms: N-tert-butylhydrazinecarbothioamide, ZINC00166659, ALBB-006564, CID737275, N-(tert-butyl)hydrazinecarbothioamide, STK504013, T0520-2928

Molecular Formula: C5H13N3SMolecular Weight: 147.241820 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 1

InChIKey: ZUWRCNZOBNETMU-UHFFFAOYSA-N

• 2,4-Dichloroanisole
IUPAC Name: 2,4-dichloro-1-methoxybenzene | CAS Registry Number: 553-82-2
Synonyms: Dichloroanisole, Anisole, 2,4-dichloro-, Benzene, dichloromethoxy-, Benzene, 2,4-dichloro-1-methoxy-, 1,5-Dichloro-2-methoxybenzene, 533661_ALDRICH, 2,4-DICHLORO-1-METHOXYBENZENE, NSC6077, ZINC00403522, Anisole, 2,4-dichloro- (8CI), LTBB003022, CID11119, NSC 6077, EINECS 209-051-5, AI3-16644, S01-0415, InChI=1/C7H6Cl2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H, 54518-15-9

Molecular Formula: C7H6Cl2OMolecular Weight: 177.027940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CICQUFBZCADHHX-UHFFFAOYSA-N

• 3,4-Dimethoxyphenethyl isothiocyanate
IUPAC Name: 4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene | CAS Registry Number: 21714-25-0
Synonyms: ZINC02168532, BB_SC-1804, CID140856, 4-(2-Isothiocyanatoethyl)-1,2-dimethoxybenzene

Molecular Formula: C11H13NO2SMolecular Weight: 223.291420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GHYFLDWHIVKQLS-UHFFFAOYSA-N

• 3-Chloro-4-Fluorobromobenzene
IUPAC Name: 4-bromo-2-chloro-1-fluorobenzene | CAS Registry Number: 60811-21-4
Synonyms: 4-Bromo-2-chloro-1-fluorobenzene, 3-chloro-4-fluorobromobenzene, 1-Bromo-3-chloro-4-fluorobenzene, 3-Chloro-4-fluorobenzene bromide, 4-Bromo-2-chlorofluorobenzene, ST50408594, PubChem2169, ACMC-209mma, AC1MT0NM, SureCN330695, KSC493O4N, 4-bromo-2-chloro-fluorobenzene, 432229_ALDRICH, CTK3J3746, MolPort-000-151-812, OTAVA-BB 1287445, AKOS 91987, ACT12570, 3-Chloro-4-fluorobromobenzene 98%, ANW-33584

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

InChIKey: CJTIWGBQCVYTQE-UHFFFAOYSA-N

• 2,3-Dichlorophenyl Isothiocyanate
IUPAC Name: 1,2-dichloro-3-isothiocyanatobenzene | CAS Registry Number: 6590-97-2
Synonyms: 476005_ALDRICH, 2,3-Dichlorophenyl isothiocyanate, ZINC00164795, BBR-050288, CID2796281

Molecular Formula: C7H3Cl2NSMolecular Weight: 204.076420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RQZIODPVCCTBAQ-UHFFFAOYSA-N

• 4-Butyl-3-thiosemicarbazide
IUPAC Name: 1-amino-3-butylthiourea | CAS Registry Number: 6610-31-7
Synonyms: Butylsemithiocarbazide, n-Butylhydrazinecarbothioamide, 4-BUTYLTHIOSEMICARBAZIDE, ZINC02168525, T0510-7413

Molecular Formula: C5H13N3SMolecular Weight: 147.241820 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 1

InChIKey: KNGDMOLRXYKGAD-UHFFFAOYSA-N

• 1-Benzoyl-4-phenylsemicarbazide
IUPAC Name: 1-benzamido-3-phenylurea | CAS Registry Number: 1152-32-5
Synonyms: 1-benzamido-3-phenylurea, ST50410462, ZINC00083901, AC1LDVMX, Maybridge1_006757, 1-benzamido-3-phenyl-urea, CBDivE_013351, SureCN12305515, CTK4A9244, HMS560L03, MolPort-000-151-359, N-[(phenylcarbamoyl)amino]benzamide, SBB101584, STK414202, 2-benzoyl-N-phenylhydrazinecarboxamide, AKOS001198253, AG-B-89760, MCULE-3637748786, KB-81739, KB-93659

Molecular Formula: C14H13N3O2Molecular Weight: 255.271920 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: WPMMTXFVYJICDR-UHFFFAOYSA-N

• 5-Chloro-2-methylphenol
IUPAC Name: 5-chloro-2-methylphenol | CAS Registry Number: 5306-98-9
Synonyms: 5-Chloro-o-cresol, o-Cresol, 5-chloro-, 2-Methyl-5-chlorophenol, 3-Chloro-6-methylphenol, Phenol, 5-chloro-2-methyl-, 540668_ALDRICH, o-Cresol, 5-chloro- (8CI), EINECS 226-160-3, NSC157349, ZINC00158233, Phenol, 5-chloro-2-methyl- (9CI), NSC 157349

Molecular Formula: C7H7ClOMolecular Weight: 142.582880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KKFPXGXMSBBNJI-UHFFFAOYSA-N

• 3,5-Dimethyl Phenyl Acetonitrile
IUPAC Name: 2-(3,5-dimethylphenyl)acetonitrile | CAS Registry Number: 39101-54-7
Synonyms: (3,5-Dimethylphenyl)acetonitrile, 3,5-Dimethylphenylacetonitrile, Benzeneacetonitrile, 3,5-dimethyl-, ZINC02528063, EINECS 254-292-1, CID123481, A4103/0174930

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

InChIKey: LMUKNQSVBFEUKR-UHFFFAOYSA-N

• 3-Bromochlorobenzene
IUPAC Name: 1-bromo-3-chlorobenzene | CAS Registry Number: 108-37-2
Synonyms: m-Bromochlorobenzene, m-Chlorobromobenzene, 1-Bromo-3-chlorobenzene, 3-Chlorobromobenzene, m-Chlorophenyl bromide, Benzene, 1-bromo-3-chloro-, m-Bromophenyl chloride, 1-Chloro-3-bromobenzene, 3-Chlorophenyl bromide, 3-BROMOCHLOROBENZENE, 124036_ALDRICH, EINECS 203-575-8, NSC 53548, NSC53548, LS-29192, ST5406221, InChI=1/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4

Molecular Formula: C6H4BrClMolecular Weight: 191.452960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: JRGGUPZKKTVKOV-UHFFFAOYSA-N

• 2,5-Dimethylphenethylamine
IUPAC Name: 2-(2,5-dimethylphenyl)ethanamine | CAS Registry Number: 23068-44-2
Synonyms: Phenethylamine, 2,5-dimethyl-, NSC57657, BRN 2962371, CID211415, SBB005798, LS-103334, 4-12-00-02847 (Beilstein Handbook Reference)

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

InChIKey: RNEFNTMBBIKOFO-UHFFFAOYSA-N

• 3,4-Dimethoxybenzhydrazide
IUPAC Name: 3,4-dimethoxybenzohydrazide | CAS Registry Number: 41764-74-3
Synonyms: Veratrohydrazide, Oprea1_111717, ARONIS006302, EINECS 255-541-7, ZINC01458097, ST5046191, 51707-38-1

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

InChIKey: LJMQIGMMUZLDOC-UHFFFAOYSA-N

• 2,5-Difluorophenyl Isothiocyanate
IUPAC Name: 1,4-difluoro-2-isothiocyanatobenzene | CAS Registry Number: 206559-57-1
Synonyms: 2,5-Difluorophenyl isothiocyanate, 1,4-Difluoro-2-isothiocyanatobenzene, SBB066523, 2,5-difluorobenzenisothiocyanate, ZINC02390071, PubChem5020, AC1LCBRG, ACMC-1CC0G, 474843_ALDRICH, 2,5-difluorophenylisothiocyanate, CTK4E4806, MolPort-000-154-476, AKOS000212449, 1,4-Difluoro-2-isothiocyanatobenzene;, AG-E-51561, AS00362, AS04356, MCULE-9994119610, Benzene,1,4-difluoro-2-isothiocyanato-, KB-83631

Molecular Formula: C7H3F2NSMolecular Weight: 171.167226 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: QVIDXDRFMDPVLA-UHFFFAOYSA-N

• 5-Bromovaleryl chloride
IUPAC Name: 5-bromopentanoyl chloride | CAS Registry Number: 4509-90-4
Synonyms: 5-Bromopentanoyl chloride, 331317_ALDRICH, ZINC02560396, CID521173, TL8003130

Molecular Formula: C5H8BrClOMolecular Weight: 199.473420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OKRUMSWHDWKGHA-UHFFFAOYSA-N


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