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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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• 1-Benzyl-2-thiourea
IUPAC Name: phenylmethylthiourea | CAS Registry Number: 621-83-0
Synonyms: Benzylthiourea, Thiourea, (phenylmethyl)-, Urea, 1-benzyl-2-thio-, AIDS114927, Amino[benzylamino]methane-1-thione, Thiourea, (phenylmethyl)- (9CI), AIDS-114927, NSC15510, Urea, 1-benzyl-2-thio- (8CI), EINECS 210-709-9, CID737375, NSC 15510, ZINC00167243, ST5409494

Molecular Formula: C8H10N2SMolecular Weight: 166.243400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: UCGFRIAOVLXVKL-UHFFFAOYSA-N

• 2-Bromo-6-chlorotoluene
IUPAC Name: 1-bromo-3-chloro-2-methylbenzene | CAS Registry Number: 62356-27-8
Synonyms: 1-Bromo-3-chloro-2-methylbenzene, Benzene, 1-bromo-3-chloro-2-methyl-, EINECS 263-520-9, ST5408533

Molecular Formula: C7H6BrClMolecular Weight: 205.479540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DMARBQGIQKLIPM-UHFFFAOYSA-N

• 2,5-Dimethyl-1H-pyrrole
IUPAC Name: 2,5-dimethyl-1H-pyrrole | CAS Registry Number: 625-84-3
Synonyms: 2,5-Dimethylazole, Pyrrole, 2,5-dimethyl-, 2,5-DIMETHYLPYRROLE, 1H-Pyrrole, 2,5-dimethyl-, Pyrrole,2,5-dimethyl, D183601_ALDRICH, NSC 4507, EINECS 210-913-8, NSC4507, AIDS054754, Pyrrole, 2,5-dimethyl- (8CI), AIDS-054754, ZINC01673420, LS-136918, TL8004195, InChI=1/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H

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

InChIKey: PAPNRQCYSFBWDI-UHFFFAOYSA-N

• 2-Bromo-4,5-dimethoxybenzoic acid
IUPAC Name: 2-bromo-4,5-dimethoxybenzoic acid | CAS Registry Number: 6286-46-0
Synonyms: 6-Bromoveratric acid, 441074_ALDRICH, ALBB-009063, NSC10074, Benzoic acid, 2-bromo-4,5-dimethoxy-, ST5319516, SR-01000643470-1, InChI=1/C9H9BrO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H,11,12

Molecular Formula: C9H9BrO4Molecular Weight: 261.069360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HWFCHCRFQWEFMU-UHFFFAOYSA-N

• 2-Acetyl-5-chlorothiophene
IUPAC Name: 1-(5-chlorothiophen-2-yl)ethanone | CAS Registry Number: 6310-09-4
Synonyms: 5-Chlor-2-acetyl thiophen, 5-Chloro-2-acetyl thiophen, 5-Chloro-2-thienyl methyl ketone, Ethanone, 1-(5-chloro-2-thienyl)-, Ketone, 5-chloro-2-thienyl methyl, 1-(5-Chloro-2-thienyl)ethanone, 247073_ALDRICH, EINECS 228-630-3, NSC 43020, 1-(5-Chloro-2-thienyl)ethan-1-one, NSC43020, BRN 0113936, ZINC00035873, BA 11044, AI3-15902, LS-87118, ST005676, 5-17-09-00391 (Beilstein Handbook Reference), AI-942/40232791, InChI=1/C6H5ClOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H

Molecular Formula: C6H5ClOSMolecular Weight: 160.621300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HTZGPEHWQCRXGZ-UHFFFAOYSA-N

• 3-Fluorobenzyl isothiocyanate
IUPAC Name: 1-fluoro-3-(isothiocyanatomethyl)benzene | CAS Registry Number: 63351-94-0
Synonyms: 1-fluoro-3-(isothiocyanatomethyl)benzene, ZINC02528111, AC1MC71O, CTK5B8763, PC3721M, MolPort-000-155-507, (3-fluorophenyl)methanisothiocyanate, 3-(Isothiocyanatomethyl)fluorobenzene, SBB088089, AKOS000343429, AG-G-34922, KB-31953, 1-fluoranyl-3-(isothiocyanatomethyl)benzene, Benzene,1-fluoro-3-(isothiocyanatomethyl)-, FT-0615726, A834341, I01-15380, 3-Fluorobenzylisothiocyanate;m-Fluorobenzyl isothiocyanate;

Molecular Formula: C8H6FNSMolecular Weight: 167.203343 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CCKNPKNHNFDGND-UHFFFAOYSA-N

• 4-Chloro-2-isothiocyanato-1-methoxy-benzene
IUPAC Name: 4-chloro-2-isocyanato-1-methoxybenzene | CAS Registry Number: 63429-99-2
Synonyms: 5-Chloro-2-methoxyphenyl isocyanate, 478237_ALDRICH, ZINC00164919, ALBB-003036, CID144009, 2-Methoxy-5-chloro phenyl isocyanate, 4-Chloro-2-isocyanato-1-methoxybenzene, SB 01957, 2-METHOXY-5-CHLORO PHENYLISOCYANATE, 55440-54-5

Molecular Formula: C8H6ClNO2Molecular Weight: 183.591740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CDRZZFCLBUGMMB-UHFFFAOYSA-N

• 1-(2,6-Dimethylphenyl)-2-thiourea
IUPAC Name: (2,6-dimethylphenyl)thiourea | CAS Registry Number: 6396-76-5
Synonyms: 1-(2,6-Xylyl)thiourea, N-(2,6-dimethylphenyl)thiourea, NSC202179, EINECS 229-005-8, CID853911, ZINC00400572, NSC 202179, ST5411050

Molecular Formula: C9H12N2SMolecular Weight: 180.269980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: ASNKJUONFPQYPC-UHFFFAOYSA-N

• 2-Fluorobenzyl isothiocyanate
IUPAC Name: 1-fluoro-2-(isothiocyanatomethyl)benzene | CAS Registry Number: 64382-80-5
Synonyms: ZINC02168970, CID144050, 1-Fluoro-2-(isothiocyanatomethyl)benzene

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

InChIKey: HHJNPMOABDDXEL-UHFFFAOYSA-N

• 1-(4-Benzyloxyphenyl)-2-thiourea
IUPAC Name: [4-(phenylmethoxy)phenyl]thiourea | CAS Registry Number: 65069-53-6
Synonyms: AIDS247061, AIDS-247061, ZINC02528135, Thiourea, N-[4-(phenylmethoxy)phenyl]-, T5342845

Molecular Formula: C14H14N2OSMolecular Weight: 258.338760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: TVUKNBBQSFMNAL-UHFFFAOYSA-N

• (2-Fluorophenyl)thiourea
IUPAC Name: (2-fluorophenyl)thiourea | CAS Registry Number: 656-32-6
Synonyms: Maybridge1_008774, Thiourea,(2-fluorophenyl)-, Thiourea, (2-fluorophenyl)-, ZINC00127132, CID2737500, ST5170884

Molecular Formula: C7H7FN2SMolecular Weight: 170.207283 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: WYVZQQOFMQRNPF-UHFFFAOYSA-N

• 2,3-Dichlorobenzonitrile
IUPAC Name: 2,3-dichlorobenzonitrile | CAS Registry Number: 6574-97-6
Synonyms: Benzonitrile, dichloro-, Benzonitrile, 2,3-dichloro-, 527793_ALDRICH, ZINC00159430, AI3-33363, ST5405939, AA-516/25012254, 61593-48-4

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

InChIKey: OHDYZVVLNPXKDX-UHFFFAOYSA-N

• 2,6-Dimethylbenzonitrile
IUPAC Name: 2,6-dimethylbenzonitrile | CAS Registry Number: 6575-13-9
Synonyms: Benzonitrile, 2,6-dimethyl-, NCIOpen2_001819, 2,6-DIMETHYLBENZ0NITRILE, NSC98304, EINECS 229-503-5, NSC 98304, ZINC01638478, ST5409492, InChI=1/C9H9N/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,1-2H

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

InChIKey: QSACPWSIIRFHHR-UHFFFAOYSA-N

• 3-Chlorobenzoyl isothiocyanate
IUPAC Name: 3-chlorobenzoyl isothiocyanate | CAS Registry Number: 66090-36-6
Synonyms: 3-chlorobenzoyl isothiocyanate, ZINC02390100, AC1MBVRZ, Benzoylisothiocyanate, 3-chloro-, CTK2F2594, MolPort-000-152-731, AKOS009076008, (3-chlorophenyl)-isothiocyanatomethanone, (3-chlorophenyl)-isothiocyanato-methanone, KB-86647, FT-0641046, A835331, I01-14270

Molecular Formula: C8H4ClNOSMolecular Weight: 197.641460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZUISLKTWVWIULT-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

• 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

• 4-Bromo-3-chlorotoluene
IUPAC Name: 1-bromo-2-chloro-4-methylbenzene | CAS Registry Number: 6627-51-6
Synonyms: 1-Bromo-2-chloro-4-methylbenzene, NSC60109, CID138789

Molecular Formula: C7H6BrClMolecular Weight: 205.479540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SDTULEXOSNNGAW-UHFFFAOYSA-N

• 4-Benzyloxyanisole
IUPAC Name: 1-methoxy-4-(phenylmethoxy)benzene | CAS Registry Number: 6630-18-8
Synonyms: 4-BENZYLOXYANISOLE, Ether, benzyl p-methoxyphenyl, 1-(benzyloxy)-4-methoxybenzene, Benzene, 1-methoxy-4-(phenylmethoxy)-, NSC60031, ZINC00393839, ST5409353, AE-095/31499005

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

InChIKey: YXPFQYIWXTVCKV-UHFFFAOYSA-N

• 3,5-Dimethoxybenzyl chloride
IUPAC Name: 1-(chloromethyl)-3,5-dimethoxybenzene | CAS Registry Number: 6652-32-0
Synonyms: 1-(Chloromethyl)-3,5-dimethoxybenzene, AG-G-51059, 5-(chloromethyl)-1,3-dimethoxybenzene, AN-651/40724474, ZINC02545309, AC1MBY26, AC1Q48DX, SureCN1279836, ACMC-1B72F, 3,5-dimethoxy benzyl chloride, 330264_ALDRICH, 3,5-di methoxy benzyl chloride, CTK5C4853, MolPort-000-154-592, ANW-74106, SBB054907, STL279749, AKOS000261560, AB02846, AG-B-79375

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

InChIKey: CCAWDIFJOBKBSE-UHFFFAOYSA-N

• 2,5-Dichlorobenzhydrazide
IUPAC Name: 2,5-dichlorobenzohydrazide | CAS Registry Number: 67487-35-8
Synonyms: 2,5-Dichlorobenzohydrazide, MLS000388604, ZINC00153665, SMR000254777, T0518-4858

Molecular Formula: C7H6Cl2N2OMolecular Weight: 205.041340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XECBCXNWGBDIMG-UHFFFAOYSA-N

• 1-(2,5-Dimethoxyphenyl)-2-thiourea
IUPAC Name: (2,5-dimethoxyphenyl)thiourea | CAS Registry Number: 67617-98-5
Synonyms: (2,5-dimethoxyphenyl)thiourea, 2,5-dimethoxyphenylthiourea, 1-(2,5-dimethoxyphenyl)thiourea, SBB056746, amino[(2,5-dimethoxyphenyl)amino]methane-1-thione, ZINC00154613, AC1MBY9I, AC1Q48U2, CTK8F3851, n-(2,5-dimethoxyphenyl)thiourea, MolPort-000-154-700, STK374494, AKOS005447498, AG-L-63253, MCULE-8364503555, KB-63805, FT-0610410, FT-0610411, ST50825620, EN300-66535

Molecular Formula: C9H12N2O2SMolecular Weight: 212.268780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ZLGQKHQZDDTIFW-UHFFFAOYSA-N

• 2-Chloro-1,3-dimethylbenzene
IUPAC Name: 2-chloro-1,3-dimethylbenzene | CAS Registry Number: 6781-98-2
Synonyms: 2-Chloro-m-xylene, m-Xylene, 2-chloro-, Benzene, 2-chloro-1,3-dimethyl-, 276308_ALDRICH, EINECS 229-843-4, InChI=1/C8H9Cl/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H

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

InChIKey: VDXLAYAQGYCQEO-UHFFFAOYSA-N

• 4-Bromo-2-methylbenzonitrile
IUPAC Name: 4-bromo-2-methylbenzonitrile | CAS Registry Number: 67832-11-5
Synonyms: 665320_ALDRICH, NSC229305, SBB005832, ZINC01758063

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

InChIKey: LPEBMDFRIKYFCF-UHFFFAOYSA-N

• 4-Benzyloxybromobenzene
IUPAC Name: 1-bromo-4-(phenylmethoxy)benzene | CAS Registry Number: 6793-92-6
Synonyms: UPCMLD00WJLM28, Benzyl p-bromophenyl ether, 1-(Benzyloxy)-4-bromobenzene, 513032_ALDRICH, AIDS017819, AIDS-017819, ZINC00397622, ST5408656

Molecular Formula: C13H11BrOMolecular Weight: 263.129840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OUQSGILAXUXMGI-UHFFFAOYSA-N

• 4-Chloro-2-fluoroiodobenzene
IUPAC Name: 4-chloro-2-fluoro-1-iodobenzene | CAS Registry Number: 6797-79-1
Synonyms: 4-Chloro-2-fluoro-1-iodobenzene, 1-chloro-3-fluoro-4-iodobenzene, AG-G-58646, PubChem3435, SureCN121913, AC1MC5V0, ACMC-1B71K, 2-fluoro-4-chloroiodobenzene, 541184_ALDRICH, CTK2F1780, RSTFBOIFYXJIMR-UHFFFAOYSA-, MolPort-000-153-016, ACT08107, ANW-35429, SBB101763, ZINC00404024, 4-CHLORO-2-FLUORO-IODOBENZENE, AKOS009157520, AM62537, AS03049

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

InChIKey: RSTFBOIFYXJIMR-UHFFFAOYSA-N

• 3-(Butylamino)propionitrile
IUPAC Name: 3-(butylamino)propanenitrile | CAS Registry Number: 693-51-6
Synonyms: 3-Butylamino-propanenitrile, 3-butylamino-propionitrile, NSC41158, ST5409555

Molecular Formula: C7H14N2Molecular Weight: 126.199460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FPGVMJDQNJEAJM-UHFFFAOYSA-N

• 2-Bromo-5-methylbenzoic acid
IUPAC Name: 2-bromo-5-methylbenzoic acid | CAS Registry Number: 6967-82-4
Synonyms: NSC20686, CID228080

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

InChIKey: ZXMISUUIYPFORW-UHFFFAOYSA-N

• 4-Chlorodiphenyl ether
IUPAC Name: 1-chloro-4-(phenoxy)benzene | CAS Registry Number: 7005-72-3
Synonyms: Chlorodiphenyl ether, p-Chlorodiphenyl oxide, 1-Chloro-4-phenoxybenzene, Benzene, chlorophenoxy-, Ether, p-chlorophenyl phenyl, Benzene, 1-chloro-4-phenoxy-, Phenyl ether mono-chloro, Monochloro diphenyl ether, Monochloro diphenyl oxide, 4-Chlorophenyl phenyl ether, Monochlorodiphenyl oxide, 4-Monochlorodiphenyl oxide, ETHER, MONOCHLOROPHENYL, 357650_ALDRICH, P-CHLOROPHENYL PHENYL ETHER, HSDB 6176, NSC61839, EINECS 230-281-7, Ether, p-chlorophenyl phenyl (8CI), NSC 61839

Molecular Formula: C12H9ClOMolecular Weight: 204.652260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PGPNJCAMHOJTEF-UHFFFAOYSA-N

• 3-Benzyloxybenzotrifluoride
IUPAC Name: 1-phenylmethoxy-3-(trifluoromethyl)benzene | CAS Registry Number: 70097-64-2
Synonyms: 1-benzyloxy-3-trifluoromethylbenzene, 1-(benzyloxy)-3-(trifluoromethyl)benzene, 1-phenylmethoxy-3-(trifluoromethyl)benzene, ST51041663, 3-(phenylmethoxy)-1-(trifluoromethyl)benzene, ZINC02574303, ACMC-209ocs, AC1MC4KX, SureCN5025938, CTK5D1835, MolPort-000-151-423, ANW-35834, SBB101091, 1-Benzyloxy-3-trifluoromethylbenzene,, AKOS015888545, AG-G-73631, AK140253, KB-11346, FT-0641265, B-5020

Molecular Formula: C14H11F3OMolecular Weight: 252.231750 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KFUXJOLIPMQFEL-UHFFFAOYSA-N

• 5-Bromo-2-methoxyphenylacetic acid
IUPAC Name: 2-(5-bromo-2-methoxyphenyl)acetic acid | CAS Registry Number: 7017-48-3
Synonyms: (5-bromo-2-methoxyphenyl)acetic acid, 2-(5-bromo-2-methoxyphenyl)acetic acid, SBB017828, 70851-62-6, PubChem12492, AC1LBCD4, SureCN154368, AC1Q49HR, Oprea1_572105, KSC495A6P, AC1Q25P6, RARECHEM AL BO 0337, CTK3J5067, TIMTEC-BB SBB017828, MolPort-000-148-677, OTAVA-BB 1503030, OTAVA-BB 1800922, KST-1A7728, 2-methoxy-5-bromophenylacetic acid, ACT01119

Molecular Formula: C9H9BrO3Molecular Weight: 245.069960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BBHBUJQFVCMESB-UHFFFAOYSA-N

• 1-(4-Carboxypheny)-2-thiourea
IUPAC Name: 4-(carbamothioylamino)benzoic acid | CAS Registry Number: 7366-56-5
Synonyms: Oprea1_411516, 4-(2-Thioureido)benzoic acid, AIDS114913, AIDS-114913, NSC49255, EINECS 230-910-5, 4-[(Aminothioxomethyl)amino]benzoic acid, ST5171239

Molecular Formula: C8H8N2O2SMolecular Weight: 196.226320 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: FOYDMXZTPAEILY-UHFFFAOYSA-N

• 3-Chloro-2-methylbenzoic acid
IUPAC Name: 3-chloro-2-methylbenzoic acid | CAS Registry Number: 7499-08-3
Synonyms: 3-Chloro-o-toluic acid, o-Toluic acid, 3-chloro-, Benzoic acid, 3-chloro-2-methyl-, 518409_ALDRICH, NSC 407522, BRN 1072826, NSC407522, Benzoic acid, 3-chloro-2-methyl- (9CI), LS-154254, ST5408236, 4-09-00-01705 (Beilstein Handbook Reference), InChI=1/C8H7ClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11

Molecular Formula: C8H7ClO2Molecular Weight: 170.592980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HXGHMCLCSPQMOR-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

• 3-Bromo-2-methylbenzoic acid
IUPAC Name: 3-bromo-2-methylbenzoic acid | CAS Registry Number: 76006-33-2
Synonyms: 3-Bromo-o-toluic Acid, 2-methyl-3-bromobenzoic acid, SBB052610, AG-H-03121, 3-bromo-2-methyl-benzoic Acid, PubChem4717, AC1MC3NS, 2-Bromo-6-carboxytoluene, SureCN211283, AC1Q2D5A, KSC377A4P, ACMC-209p19, 3-Bromo-2-methylbenzoic acid,, 560162_ALDRICH, Benzoicacid, 3-bromo-2-methyl-, CTK2H7047, MolPort-000-152-194, ACN-S004140, ACT00907, ANW-36715

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

InChIKey: BJGKVCKGUBYULR-UHFFFAOYSA-N

• 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

• 2,4-Dimethylphenethylamine
IUPAC Name: 2-(2,4-dimethylphenyl)ethanamine | CAS Registry Number: 76935-60-9
Synonyms: 2-(2,4-dimethylphenyl)ethanamine, 2,4-dimethylbenzeneethanamine, SBB017645, 2-(2,4-dimethylphenyl)ethan-1-amine, AC1Q2LWM, SureCN855681, AC1L97HI, AC1Q2HZ6, Benzeneethanamine,2,4-dimethyl-, CTK5E3609, MolPort-000-154-858, 2-(2,4-dimethylphenyl)ethylamine, ANW-56091, AKOS000155206, AG-B-85108, AG-H-07266, MCULE-7371791215, AK-36337, KB-17695, EN300-55713

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

InChIKey: VQGZTRKXOUWMAC-UHFFFAOYSA-N

• 4-Benzyloxychlorobenzene
IUPAC Name: 1-chloro-4-(phenylmethoxy)benzene | CAS Registry Number: 7700-27-8
Synonyms: ZINC00243068, CID139062, Benzene,1-chloro-4-(phenylmethoxy)-, Benzene, 1-chloro-4-(phenylmethoxy)-, EU-0034247

Molecular Formula: C13H11ClOMolecular Weight: 218.678840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OBCBJNFGAMHBTC-UHFFFAOYSA-N

• 3-Bromo-4-methoxyphenylacetonitrile
IUPAC Name: 2-(3-bromo-4-methoxyphenyl)acetonitrile | CAS Registry Number: 772-59-8
Synonyms: 3-Bromo-4-methoxybenzyl Cyanide, SBB058927, AG-H-08785, 2-(3-bromo-4-methoxyphenyl)acetonitrile, 2-(3-bromo-4-methoxyphenyl)ethanenitrile, ZINC02565991, AC1LAX7K, AC1Q4CDR, ACMC-209p8t, SureCN150589, AC1Q44LV, CTK3J5090, MolPort-001-767-915, ANW-36987, AKOS009156590, MCULE-9870858892, KB-87160, B1455, FT-0604697, ST50408766

Molecular Formula: C9H8BrNOMolecular Weight: 226.069920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OBJKHHRZMIIEOK-UHFFFAOYSA-N

• 3,5-Dihydroxybenzhydrazide
IUPAC Name: 3,5-dihydroxybenzohydrazide | CAS Registry Number: 7732-32-3
Synonyms: 3,5-Dihydroxybenzohydrazide, Oprea1_197382, ALBB-002501, ZINC00405095, ST5411446

Molecular Formula: C7H8N2O3Molecular Weight: 168.150020 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: FJBLNCPJAVARBR-UHFFFAOYSA-N

• 2-Amino-6-fluorobenzonitrile
IUPAC Name: 2-amino-6-fluorobenzonitrile | CAS Registry Number: 77326-36-4
Synonyms: 6-Fluoroanthranilonitrile, 6-Fluoro-2-aminobenzonitrile, 429856_ALDRICH, ZINC00153053, ALBB-006178, BTB 07341, CID522659, TL80074128, InChI=1/C7H5FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H

Molecular Formula: C7H5FN2Molecular Weight: 136.126403 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IQUNZGOZUJITBJ-UHFFFAOYSA-N

• 3-Bromo-4-methoxyphenylacetic acid
IUPAC Name: 2-(3-bromo-4-methoxyphenyl)acetic acid | CAS Registry Number: 774-81-2
Synonyms: 3-Bromo-4-methoxy-phenyl acetic acid, FS000801, ST5169430

Molecular Formula: C9H9BrO3Molecular Weight: 245.069960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: POTVGQUUEQTPNA-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

• 3,5-Dimethylbenzylamine
IUPAC Name: (3,5-dimethylphenyl)methanamine | CAS Registry Number: 78710-55-1
Synonyms: EINECS 278-974-3, BBV-058330, CID2736241

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

InChIKey: DZBHNPJZCQWUCG-UHFFFAOYSA-N

• 4,4'-Diacetylbiphenyl
IUPAC Name: 1-[4-(4-acetylphenyl)cyclohexyl]ethanone | CAS Registry Number: 787-69-9
Synonyms: 4,4'-Diacetyl biphenyl, ZINC00056557, CID767785

Molecular Formula: C16H20O2Molecular Weight: 244.328800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JUUBRWDMANTQBT-UHFFFAOYSA-N

• 9-Fluorenone-2,7-dicarboxylic acid
IUPAC Name: 9-oxofluorene-2,7-dicarboxylic acid | CAS Registry Number: 792-26-7
Synonyms: 9-oxofluorene-2,7-dicarboxylic Acid, 9-Oxo-9H-fluorene-2,7-dicarboxylic acid, SBB069088, zlchem 672, AC1MBZAG, SureCN600296, 2,7-dicarboxy-9-fluorenone, CTK2H6917, fluorenone-2,7-dicarboxylic acid, ZLD0124, MolPort-000-155-427, ACT05905, ANW-55004, AKOS001582633, AG-H-17957, CCG-138415, MCULE-8021002789, AK-78724, 9-Fluorenone-2,7-dicarboxylic acid, tech., 9H-Fluorene-2,7-dicarboxylicacid, 9-oxo-

Molecular Formula: C15H8O5Molecular Weight: 268.221020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: XMIFYVJZYNTBTI-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

• 3-Ethoxy-4-hydroxybenzeneacetic acid
IUPAC Name: 2-(3-ethoxy-4-hydroxyphenyl)acetic acid | CAS Registry Number: 80018-50-4
Synonyms: 3-Ethoxy-4-hydroxyphenylacetic acid, 2-(3-ethoxy-4-hydroxyphenyl)acetic acid, Benzenacetic acid, 3-ethoxy-4-hydroxy-, PubChem12537, AC1LAXB2, SureCN1878990, CTK5E7355, MolPort-000-155-095, SBB017743, (3-ethoxy-4-hydroxyphenyl)acetic acid, AKOS006223402, AG-H-20685, Benzeneacetic acid,3-ethoxy-4-hydroxy-, KB-31578, FT-0641744, 2-(3-ethoxy-4-oxidanyl-phenyl)ethanoic acid, C-5374, E-5900, A839807, I04-4102

Molecular Formula: C10H12O4Molecular Weight: 196.199880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: QVXSHYZATYQYGE-UHFFFAOYSA-N

• 3-Bromo-4-hydroxy-5-methoxyphenylacetonitrile
IUPAC Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetonitrile | CAS Registry Number: 81038-44-0
Synonyms: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetonitrile, ST51041857, ZINC02528065, AC1LAXBQ, SureCN6897446, AC1Q467Q, CTK3E7829, MolPort-000-152-126, AKOS015834617, AG-H-25735, 2-Bromo-4-(cyanomethyl)-6-methoxyphenol, 3-Bromo-4-hydroxy-5-methoxybenzyl cyanide, KB-105658, FT-0641805, C-5503, 3-Bromo-4-hydroxy-5(-methoxyphenyl)acetonitrile, A840025, Benzeneacetonitrile, 3-bromo-4-hydroxy-5-methoxy-, 2-(5-bromo-4-hydroxy-3-methoxyphenyl)ethanenitrile, I14-25933

Molecular Formula: C9H8BrNO2Molecular Weight: 242.069320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VMARCRAWRNPBBQ-UHFFFAOYSA-N

• 2-Chloro-4'-fluoropropiophenone
IUPAC Name: 2-chloro-1-(4-fluorophenyl)propan-1-one | CAS Registry Number: 81112-09-6
Synonyms: .alpha.-Chloro-4'-fluoropropiophenone, alpha-Chloro-4'-fluoropropiophenone, 2-Chloro-1-(4-fluorophenyl)-1-propanone, BAS 07657005, ST5284413, 2-Chloro-1-(4-fluoro-phenyl)-propan-1-one

Molecular Formula: C9H8ClFOMolecular Weight: 186.610623 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AGQLOTJUTCKLOE-UHFFFAOYSA-N

• 1-Bromo-2-butanone
IUPAC Name: 1-bromobutan-2-one | CAS Registry Number: 816-40-0
Synonyms: 1-Bromobutanone, 2-Butanone, 1-bromo-, 1-BROMO-2-BUTANONE, Bromomethyl ethyl ketone, 243299_ALDRICH, EINECS 212-431-3, TL 819, BRN 0741894, ZINC02030997, LS-46645, 4-01-00-03258 (Beilstein Handbook Reference)

Molecular Formula: C4H7BrOMolecular Weight: 151.001780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CCXQVBSQUQCEEO-UHFFFAOYSA-N


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