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 Boc-(S)-3-Amino-4-(4-bromophenyl)butanoic acid Suppliers > JS (Tianjin) Chemical & Metallurgical Co., Ltd.

JS (Tianjin) Chemical & Metallurgical Co., Ltd.

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Address: No.237,HongQi Nan Road,NanKai Distr, Tianjin 300191, China
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Profile: JS (Tianjin) Chemical & Metallurgical Co., Ltd. manufactures pharmaceutical and its intermediates, fluoride and dyes. Pharmaceutical intermediate products include 1-(2,3-dichlorophenyl)piperazine hydrochloride, 3,4-dihydro-7-hydroxy-2(1H)-quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-2(1H)-quinolinone, 7-(4-chlorobutoxy)-3,4-dihydro-2(1H)-quinolinone and 1,1-cyclohexanediacetic acid. Chiral intermediates include (R)-epichlorohydrin, (S)-glycidyl tosylate, (R)-4-glycidyl butyrate, 1-(3-chlorophenyl)-piperazine dihydrochloride and 1-(3-trifluoromethylphenyl) piperazine monohydro-chloride.

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• 1,4-Bis(diphenylphosphino)butane
IUPAC Name: 4-di(phenyl)phosphanylbutyl-di(phenyl)phosphane | CAS Registry Number: 7688-25-7
Synonyms: dppb, Bis(1,4-diphenylphosphino)butane, 261947_ALDRICH, 14805_FLUKA, 1,4-Bis[diphenylphosphino]butane, EINECS 231-698-7, Butane-1,4-diylbis(diphenylphosphine), Phosphine, 1,4-butanediylbis(diphenyl-, [4-(Diphenylphosphino)butyl](diphenyl)phosphine

Molecular Formula: C28H28P2Molecular Weight: 426.469442 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: BCJVBDBJSMFBRW-UHFFFAOYSA-N

• 2-Fluorophenylhydrazine HCL
IUPAC Name: (2-fluorophenyl)hydrazine | CAS Registry Number: 2924-15-4
Synonyms: 2-Fluorophenylhydrazine, (2-fluorophenyl)hydrazine, 1-(2-Fluorophenyl)hydrazine, Hydrazine, (2-fluorophenyl)-, ZERO/001817, ALBB-005977, 2-Fluorophenylhydrazine hydrochloride, EINECS 220-885-9, ZINC00153109, 2368-80-1

Molecular Formula: C6H7FN2Molecular Weight: 126.131583 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PENWGQNPFRRVQI-UHFFFAOYSA-N

• 3,5-DifluoroBenzonitrile
IUPAC Name: 3,5-difluorobenzonitrile | CAS Registry Number: 64248-63-1
Synonyms: 3,5-Difluorobenzonitrile, Benzonitrile, 3,5-difluoro-, 290203_ALDRICH, ZINC00156994, JRD-0130, EINECS 264-752-3, CID587204, 3S210980, InChI=1/C7H3F2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3

Molecular Formula: C7H3F2NMolecular Weight: 139.102226 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CQXZSEXZQVKCHW-UHFFFAOYSA-N

• 2,6-Dichloro-5-Fluoro Nicotinic Acid
IUPAC Name: 2,6-dichloro-5-fluoropyridine-3-carboxylate | CAS Registry Number: 82671-06-5
Synonyms: ZINC00403189, CID6951153

Molecular Formula: C6HCl2FNO2-Molecular Weight: 208.982043 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: LTDGKGCHRNNCAC-UHFFFAOYSA-M

• 3,4,5-Trichlorobenzotrifluoride
IUPAC Name: 1,2,3-trichloro-5-(trifluoromethyl)benzene | CAS Registry Number: 50594-82-6
Synonyms: EINECS 256-636-6, T109, ST5405198, 1,2,3-Trichloro-5-(trifluoromethyl)benzene, InChI=1/C7H2Cl3F3/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2

Molecular Formula: C7H2Cl3F3Molecular Weight: 249.444990 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: FBKFIAIRSQOXJR-UHFFFAOYSA-N

• 3-Fluorobenzoyl Chloride
IUPAC Name: 3-fluorobenzoyl chloride | CAS Registry Number: 1711-07-5
Synonyms: m-Fluorobenzoyl chloride, 3-Fluorobenzoyl chloride, Benzoyl chloride, 3-fluoro-, Benzoyl chloride, m-fluoro-, m-Fluorobenzoic acid chloride, 162531_ALDRICH, JRD-0175, NSC88315, EINECS 216-977-3, NSC 88315, ZINC01995213, ST5214055, TL8001346

Molecular Formula: C7H4ClFOMolecular Weight: 158.557463 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SYVNVEGIRVXRQH-UHFFFAOYSA-N

• 3-Fluorotoluene
IUPAC Name: 1-fluoro-3-methylbenzene | CAS Registry Number: 352-70-5
Synonyms: Toluene, m-fluoro-, M-FLUOROTOLUENE, 1-Fluoro-3-methylbenzene, 3-Fluorobenzyl radical, 1-Methyl-3-fluorobenzene, Benzene, 1-fluoro-3-methyl-, Ambap7192, Toluene, m-fluoro- (8CI), 162329_ALDRICH, NSC8860, NSC 8860, EINECS 206-524-8, UN2388, m-Fluorotoluene [UN2388] [Flammable liquid], InChI=1/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H, 2599-73-7

Molecular Formula: C7H7FMolecular Weight: 110.128883 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BTQZKHUEUDPRST-UHFFFAOYSA-N

• 4-Chloro-2-Aminotoluene
IUPAC Name: 5-chloro-2-methylaniline | CAS Registry Number: 95-79-4
Synonyms: Ansibase Red KB, Red KB base, 5-Chloro-2-methylaniline, Pharmazoid Red KB, Fast Red KB base, Lake Red BK base, Spectrolene Red KB, Fast Red KB Salt, Fast Red KB amine, Stable Red KB base, Fast Red KBS Salt, Genazo Red KB Soln, o-Toluidine, 5-chloro-, Lake Red KB Base, 5-Chloroaminotoluene, 2-Amino-4-chlorotoluene, 5-CHLORO-O-TOLUIDINE, Acco Fast Red KB Base, 4-Chloro-2-aminotoluene, 5-Chloro-2-toluidine

Molecular Formula: C7H8ClNMolecular Weight: 141.598120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WRZOMWDJOLIVQP-UHFFFAOYSA-N

• 2'-Deoxycytidine
IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one | CAS Registry Number: 951-77-9
Synonyms: deoxycytidine, 2'-deoxycytidine, dCYD, d-cytidine, Deoxyribose cytidine, Cytosine deoxyriboside, Desoxycytidin [German], CYTIDINE, 2'-DEOXY-, Cytosine, deoxyribonucleoside, 2'-dC, CHEBI:15698, EINECS 213-454-1, 1beta-2'-Deoxyribofuranosylcytosine, d-, AIDS000602, AIDS-000602, BRN 0087567, ZINC00008697, NCGC00142493-01, LS-59066, Cytidine, 2'-deoxy-, labeled with tritium

Molecular Formula: C9H13N3O4Molecular Weight: 227.217220 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: CKTSBUTUHBMZGZ-SHYZEUOFSA-N

• 3-Trifluoromethyl Acetophenone
IUPAC Name: 1-[3-(trifluoromethyl)phenyl]ethanone | CAS Registry Number: 349-76-8
Synonyms: 3'-(Trifluoromethyl)acetophenone, 3-Acetylbenzotrifluoride, 3-Trifluoromethylacetophenone, m-Trifluoromethylacetophenone, 233161_ALDRICH, NSC81888, 91745_FLUKA, CID67682, JRD-0181, NSC59177, EINECS 206-490-4, ZINC00163150, Ethanone, 1-(3-(trifluoromethyl)phenyl)-, Ethanone, 1-[3-(trifluoromethyl)phenyl]-, ST5406485, InChI=1/C9H7F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-5H,1H

Molecular Formula: C9H7F3OMolecular Weight: 188.146490 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ABXGMGUHGLQMAW-UHFFFAOYSA-N

• 3-Trifluoromethyl Benzoic Acid
IUPAC Name: 3-(trifluoromethyl)benzoic acid | CAS Registry Number: 454-92-2
Synonyms: 3-(Trifluoromethyl)benzoic acid, 3-Carboxybenzotrifluoride, 3-Trifluoromethylbenzoate, m-CARBOXYBENZOTRIFLUORIDE, 188344_ALDRICH, m-(Trifluoromethyl)benzoic acid, 91770_FLUKA, AIDS018130, alpha,alpha,alpha-Trifluoro-m-toluic acid, AIDS-018130, JRD-0051, NSC43025, 3-TRIFLUOROMETHYLBENZOIC ACID, Benzoic acid, 3-(trifluoromethyl)-, EINECS 207-230-2, NSC 43025, SBB003661, alpha,alpha,alpha-Tri-fluoro-m-toluic acid, Benzoic acid, 3-(trifluoromethyl)- (9CI), TL8003158

Molecular Formula: C8H5F3O2Molecular Weight: 190.119310 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: FQXQBFUUVCDIRK-UHFFFAOYSA-N

• 4-Bromo-1,8-naphthalenedicarboxylic anhydride
Synonyms: 324248_ALDRICH, ARK029, 3-Bromo-1,8-naphthalic anhydride, 4-Bromo-1,8-naphthalic anhydride, EINECS 201-382-3, ZINC08438954, ST010107, 6-Bromo-1H,3H-benzo[de]isochromene-1,3-dione, 6-Bromo-1H,3H-naphtho(1,8-cd)pyran-1,3-dione, AQ-390/40838877, 1H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 6-bromo-, 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-bromo-, 81-86-7

Molecular Formula: C12H5BrO3Molecular Weight: 277.070300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DTUOTSLAFJCQHN-UHFFFAOYSA-N

• (1S,2S)-1,2-Diphenyl-1,2-ethanediamine
IUPAC Name: [(1S,2S)-2-azaniumyl-1,2-di(phenyl)ethyl]azanium | CAS Registry Number: 29841-69-8
Synonyms: ZINC00155133

Molecular Formula: C14H18N2+2Molecular Weight: 214.306120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: PONXTPCRRASWKW-KBPBESRZSA-P

• 4-(Trifluoromethoxy)phenyl isocyanate
IUPAC Name: 1-isocyanato-4-(trifluoromethoxy)benzene | CAS Registry Number: 35037-73-1
Synonyms: 348384_ALDRICH, 91756_FLUKA, p-(Trifluoromethoxy)phenyl isocyanate, CID92298, EINECS 252-328-0, ZINC00164525, Benzene, 1-isocyanato-4-(trifluoromethoxy)-, SB 01053

Molecular Formula: C8H4F3NO2Molecular Weight: 203.118070 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: LGPKFIGMLPDYEA-UHFFFAOYSA-N

• 2-Trifluoromethylphenol
IUPAC Name: 2-(trifluoromethyl)phenol | CAS Registry Number: 444-30-4
Synonyms: o-Hydroxybenzotrifluoride, 2-Hydroxybenzotrifluoride, Phenol, 2-(trifluoromethyl)-, 2-(Trifluoromethyl)phenol, o-(Trifluoromethoxy)phenol, 219797_ALDRICH, alpha,alpha,alpha-Trifluoro-o-cresol, JRD-0001, NSC88333, EINECS 207-148-7, ZINC00164884, o-Cresol, .alpha.,.alpha.,.alpha.-trifluoro-, ST5406546, TL8003098, InChI=1/C7H5F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4,11

Molecular Formula: C7H5F3OMolecular Weight: 162.109210 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZOQOPXVJANRGJZ-UHFFFAOYSA-N

• 3-(4'-Fluorobenzy)-2-chlorobenzimidazole
IUPAC Name: 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole | CAS Registry Number: 84946-20-3
Synonyms: 568694_ALDRICH, EINECS 284-624-0, CID3020241, 1-(4-Fluorobenzyl)-2-chlorobenzimidazole, 2-Chloro-1-(4-Fluorobenzyl)benzimidazole, 2-Chloro-1-(4-fluorobenzyl)-1H-benzimidazole, 2-Chloro-1-((4-fluorophenyl)methyl)-1H-benzimidazole

Molecular Formula: C14H10ClFN2Molecular Weight: 260.694003 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PGXALMVNIRPELS-UHFFFAOYSA-N

• 5-Bromo-4-chloroindoxyl 1,3-diacetate
IUPAC Name: (1-acetyl-5-bromo-4-chloroindol-3-yl) acetate | CAS Registry Number: 3030-06-6
Synonyms: 139076_ALDRICH, ARK082, EINECS 221-200-6, ZINC00056442, 5-Bromo-4-chloro-3-indolyl 1,3-diacetate, ST5319822, 1-Acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate, 1H-Indol-3-ol, 1-acetyl-5-bromo-4-chloro-, acetate (ester), InChI=1/C12H9BrClNO3/c1-6(16)15-5-10(18-7(2)17)11-9(15)4-3-8(13)12(11)14/h3-5H,1-2H

Molecular Formula: C12H9BrClNO3Molecular Weight: 330.561760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DSHQTSIXXYZXGR-UHFFFAOYSA-N

• 2-Cyano-3-Morpholinoacrylamide
IUPAC Name: (E)-2-cyano-3-morpholin-4-ylprop-2-enamide | CAS Registry Number: 25229-97-4
Synonyms: MLS001049341, STOCK1S-05444, MolPort-002-538-220, CID910181, ZINC00493085, ZINC00493086, SMR000427323, (E)-2-Cyano-3-morpholin-4-yl-acrylamide

Molecular Formula: C8H11N3O2Molecular Weight: 181.191840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LLKCXVWITGBXLG-VOTSOKGWSA-N

• (S)(-) Alpha Methyl Benzyl Amine
IUPAC Name: (1S)-1-phenylethanamine | CAS Registry Number: 2627-86-3
Synonyms: L-alpha-Methylbenzylamine, (-)-alpha-Phenethylamine, (1S)-1-phenylethanamine, L-(-)-1-Phenylethylamine, ALPHA-METHYLBENZYLAMINE, L(-)-alpha-Methylbenzylamine, L-(-)-alpha-Phenylethylamine, (S)-alpha-Methylbenzenemethanamine, 115568_ALDRICH, 77869_FLUKA, 77870_FLUKA, CHEBI:35321, (S)-(-)-alpha-Methylbenzylamine, EINECS 220-098-0, (alphaS)-alpha-methylbenzenemethanamine, (S)-(−)-1-Phenylethylamine, SL-00444, (S)-(−)-alpha-Methylbenzylamine, Benzenemethanamine, alpha-methyl-, (alphaS)-, 137577-63-0

Molecular Formula: C8H11NMolecular Weight: 121.179640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RQEUFEKYXDPUSK-ZETCQYMHSA-N

• 2-Amino-5-Chlorobenzotrifluoride
IUPAC Name: 4-chloro-2-(trifluoromethyl)aniline | CAS Registry Number: 445-03-4
Synonyms: 2-Amino-5-chlorobenzotrifluoride, 217727_ALDRICH, EINECS 207-151-3, 4-Chloro-2-(trifluoromethyl)aniline, Benzenamine, 4-chloro-2-(trifluoromethyl)-, SBB000345, ZINC00119927, FR-1154, 4-Chloro-alpha,alpha,alpha-trifluoro-o-toluidine, o-Toluidine, 4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-

Molecular Formula: C7H5ClF3NMolecular Weight: 195.569510 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: CVINWVPRKDIGLL-UHFFFAOYSA-N

• 4-Fluorobenzoyl Chloride
IUPAC Name: 4-fluorobenzoyl chloride | CAS Registry Number: 403-43-0
Synonyms: 4-Fluorobenzoyl chloride, p-Fluorobenzoyl chloride, Benzoyl chloride, 4-fluoro-, Benzoyl chloride, p-fluoro-, p-Fluorobenzoic acid chloride, 119946_ALDRICH, 46760_FLUKA, NSC88305, EINECS 206-961-4, NSC 88305, ZINC01847456, F159, ST5214061, TL8002936

Molecular Formula: C7H4ClFOMolecular Weight: 158.557463 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CZKLEJHVLCMVQR-UHFFFAOYSA-N

• 1-(4-Fluoro-phenyl)-ethanol
IUPAC Name: 2-(4-fluorophenyl)ethanol | CAS Registry Number: 7589-27-7
Synonyms: 4-Fluorophenethyl alcohol, Benzeneethanol, 4-fluoro-, Ambap1566, 2-(4-Fluorophenyl)ethanol, Phenethyl alcohol, p-fluoro-, 4-Fluorophenethylic alcohol, 154172_ALDRICH, EINECS 231-499-5, ZINC00388332, DB03669, AI3-36431, 3S211003, 4FA

Molecular Formula: C8H9FOMolecular Weight: 140.154863 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MWUVGXCUHWKQJE-UHFFFAOYSA-N

• 2'-Deoxyuridine
IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | CAS Registry Number: 951-78-0
Synonyms: deoxyuridine, 2'-DEOXYURIDINE, 2-Deoxyuridine, Uracil deoxyriboside, Deoxyribose uracil, 2'-Desoxyuridine, dURD, Uridine, 2'-deoxy-, CCRIS 2832, MLS001066344, D5412_SIGMA, C9H12N2O5, EINECS 213-455-7, NSC 23615, AIDS113822, AIDS-113822, NSC23615, BRN 0024433, ZINC00155696, 1-(2-Deoxy-beta-D-ribofuranosyl)uracil

Molecular Formula: C9H12N2O5Molecular Weight: 228.201980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: MXHRCPNRJAMMIM-SHYZEUOFSA-N

• 2-Methyl-5-Amino Phenol
IUPAC Name: 5-amino-2-methylphenol | CAS Registry Number: 2835-95-2
Synonyms: 5-Amino-o-cresol, 5-Amino-2-methylphenol, 4-Amino-2-hydroxytoluene, 2-Hydroxy-p-toluidine, 3-Hydroxy-4-methylaniline, 6-Methyl-3-aminophenol, Ambap7779, Phenol, 5-amino-2-methyl-, CCRIS 4582, 3-AMINO-6-METHYLPHENOL, HSDB 7152, MLS001055501, 225088_ALDRICH, 4-Amino-2-hydroxy-1-methylbenzene, 08334_FLUKA, EINECS 220-618-6, AIDS019905, AIDS-019905, BRN 2802317, ZINC00394645

Molecular Formula: C7H9NOMolecular Weight: 123.152460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DBFYESDCPWWCHN-UHFFFAOYSA-N

• 2,6-Dichloro-4-Trifluoromethyl Aniline
IUPAC Name: 2,6-dichloro-4-(trifluoromethyl)aniline | CAS Registry Number: 24279-39-8
Synonyms: 4-Amino-3,5-dichlorobenzotrifluoride, 408190_ALDRICH, SBB003283, ZINC00056905, 2,6-Dichloro-4-(trifluoromethyl)aniline, TL8001998, D1236, InChI=1/C7H4Cl2F3N/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H,13H

Molecular Formula: C7H4Cl2F3NMolecular Weight: 230.014570 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ITNMAZSPBLRJLU-UHFFFAOYSA-N

• 4-Chloro-O-Toluidine
IUPAC Name: 4-chloro-2-methylaniline | CAS Registry Number: 95-69-2
Synonyms: Kambamine Red TR, Deval Red K, Red TR base, Deval Red TR, Fast Red TR, Red Base NTR, Fast Red Base TR, Fast Red TR Base, Kako Red TR Base, Red Base Ciba IX, Red Base Irga IX, Daito Red Base TR, Fast Red Tr11, Fast Red TRO Base, p-Chloro-o-toluidine, 2-Amino-5-chlorotoluene, Mitsui Red TR Base, o-Toluidine, 4-chloro-, Diazo Fast Red TRA, Fast Red 5CT Base

Molecular Formula: C7H8ClNMolecular Weight: 141.598120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: CXNVOWPRHWWCQR-UHFFFAOYSA-N

• 2-Aminonicotinic Acid
IUPAC Name: 2-aminopyridine-3-carboxylic acid | CAS Registry Number: 5345-47-1
Synonyms: 2-Aminonicotinic acid, Nicotinic acid, 2-amino-, A68300_ALDRICH, 2-Amino-3-pyridinecarboxylic acid, 3-Pyridinecarboxylic acid, 2-amino-, 08810_FLUKA, NSC3049, 2-Aminopyridine-3-carboxylic acid, AIDS020454, CBC 500841, Nicotinic acid, 2-amino- (8CI), AIDS-020454, NSC 3049, EINECS 226-296-3, SBB004188, ZINC00331646, A181, AC-907/25014115, InChI=1/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10

Molecular Formula: C6H6N2O2Molecular Weight: 138.124040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KPIVDNYJNOPGBE-UHFFFAOYSA-N

• 3,5-Dibromofluorobenzene
IUPAC Name: 1,3-dibromo-5-fluorobenzene | CAS Registry Number: 1435-51-4
Synonyms: 1,3-Dibromo-5-fluorobenzene, 3,5-Dibromo-1-fluorobenzene, 368121_ALDRICH, ST5405503, TL80074056, InChI=1/C6H3Br2F/c7-4-1-5(8)3-6(9)2-4/h1-3

Molecular Formula: C6H3Br2FMolecular Weight: 253.894423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ASWYHZXKFSLNLN-UHFFFAOYSA-N

• 2-Chlorotoluene
IUPAC Name: 1-chloro-2-methylbenzene | CAS Registry Number: 95-49-8
Synonyms: o-Chlorotoluene, o-Tolyl chloride, Toluene, o-chloro-, 1-Chloro-2-methylbenzene, ortho-Chlorotoluene, Benzene, 1-chloro-2-methyl-, 2-Methylchlorobenzene, Halso 99, 2-Chloro-1-methylbenzene, TOLUENE,2-CHLORO, 1-METHYL-2-CHLOROBENZENE, CCRIS 7785, HSDB 5291, 47797_SUPELCO, 111910_ALDRICH, 36695_RIEDEL, NSC 8766, 26530_FLUKA, EINECS 202-424-3, NSC8766

Molecular Formula: C7H7ClMolecular Weight: 126.583480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: IBSQPLPBRSHTTG-UHFFFAOYSA-N

• (S)-(+)-1-Amino-2-propanol
IUPAC Name: 1-aminopropan-2-ol | CAS Registry Number: 2799-17-9
Synonyms: Threamine, Isopropanolamine, Mipa, Monoisopropanolamine, 1-Aminopropan-2-ol, 2-Propanol, 1-amino-, 2-Hydroxypropanamine, 2-Hydroxypropylamine, aminopropanol, Mono-iso-propanolamine, 1-AMINO-2-PROPANOL, Amino-2-propanol, 1-Methyl-2-aminoethanol, 2-Amino-1-methylethanol, 2-Hydroxy-1-propylamine, 1-Amino-2-hydroxypropane, ()-Isopropanolamine, 1-amino-propan-2-ol, beta-Aminoisopropanol, D-1-amino-2-propanol

Molecular Formula: C3H9NOMolecular Weight: 75.109660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HXKKHQJGJAFBHI-UHFFFAOYSA-N

• 4-Amino-3,5-dichloro-2,6-difluoropyridine
IUPAC Name: 3,5-dichloro-2,6-difluoropyridin-4-amine | CAS Registry Number: 2840-00-8
Synonyms: ZINC01840989, CID76089, EINECS 220-630-1, SBB000376, 3,5-Dichloro-2,6-difluoropyridin-4-amine, 4-Pyridinamine, 3,5-dichloro-2,6-difluoro-

Molecular Formula: C5H2Cl2F2N2Molecular Weight: 198.985586 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BEGINUFBBRTGBH-UHFFFAOYSA-N

• 3-Fluoro-2-methylaniline
IUPAC Name: 3-fluoro-2-methylaniline | CAS Registry Number: 443-86-7
Synonyms: 3-Fluoro-o-toluidine, Ambap317, 6-Amino-2-fluorotoluene, 222674_ALDRICH, 3-FLUORO-2-METHYL-ANILINE, EINECS 207-142-4, CID285553, ZINC00407040, DB01986, TL8003052, FLM, InChI=1/C7H8FN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H

Molecular Formula: C7H8FNMolecular Weight: 125.143523 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SLDLVGFPFFLYBM-UHFFFAOYSA-N

• 1-Hydroxyadamantane
IUPAC Name: adamantan-1-ol | CAS Registry Number: 768-95-6
Synonyms: 1-Adamantanol, 1-Adamantol, Adamantan-1-ol, Ambap2129, 130346_ALDRICH, 54191_FLUKA, EINECS 212-202-8, NSC 91633, NSC 108837, Tricyclo(3.3.1.13,7)decan-1-ol, NSC91633, NSC108837, ZINC01297856, Tricyclo[3.3.1.1(3,7)]decan-1-ol, AI3-61285, SDCCGMLS-0066229.P001, Tricyclo[3.3.1.13,7]decan-1-ol, LS-15042, tricyclo[3.3.1.1~3,7~]decan-1-ol, ST5182315

Molecular Formula: C10H16OMolecular Weight: 152.233440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VLLNJDMHDJRNFK-UHFFFAOYSA-N

• 1-BromoAdamantane
IUPAC Name: 1-bromoadamantane | CAS Registry Number: 768-90-1
Synonyms: 1-Bromoadamantane, Adamantyl bromide, 1-Adamantyl bromide, Adamantane, 1-bromo-, Maybridge1_002156, 1-BROMO ADAMANTANE, ADAMANTANE,1-BROMO, 109223_ALDRICH, 16130_FLUKA, EINECS 212-200-7, CID79106, 1-Bromotricyclo(3.3.1.13,7)decane, EINECS 230-777-3, NSC527914, 2-Bromotricyclo(3.3.1.13,7)decane, STT-00320130, LS-185689, ST5182329, TL8005279, Tricyclo[3.3.1.1(3,7)-]decane, 1-bromo-

Molecular Formula: C10H15BrMolecular Weight: 215.130100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: VQHPRVYDKRESCL-UHFFFAOYSA-N

• 2,3-Dichloro-5-(Trifluoromethyl)Pyridine
IUPAC Name: 2,3-dichloro-5-(trifluoromethyl)pyridine | CAS Registry Number: 69045-84-7
Synonyms: 366145_ALDRICH, ZINC00499394, 2,3-Dichloro-5-(trifluoromethyl)pyridine, CID112234, SBB006729, 2,3-Dichloro-5-trifluoromethylpyridine, D277, TL8004835, Pyridine, 2,3-dichloro-5-(trifluoromethyl)-

Molecular Formula: C6H2Cl2F3NMolecular Weight: 215.987990 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ABNQGNFVSFKJGI-UHFFFAOYSA-N

• 5'-Deoxy-5-FluoroUridine (DFUR, Doxifluridine)
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione | CAS Registry Number: 3094-09-5
Synonyms: doxifluridine, Furtulon, Flutron, doxyfluridine, 5'-Doxifluridine, 5'-Deoxy-5-fluorouridine, Furtulon (TN), 5-Fluorodeoxyuridine, 5'-Dfur, 5'dFUrd, 5-fluoro-5'-deoxyuridine, Doxifluridine [INN:JAN], Doxifluridinum [INN-Latin], Doxifluridina [INN-Spanish], 5'FDUR, 5-DFUR, Uridine-5'-deoxy-5-fluoro-, 5'-fluoro-5'-deoxyuridine, Doxifluridine (JP15/INN), Uridine, 5'-deoxy-5-fluoro-

Molecular Formula: C9H11FN2O5Molecular Weight: 246.192443 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: ZWAOHEXOSAUJHY-ZIYNGMLESA-N

• 4-Cyanobiphenyl
IUPAC Name: 4-phenylbenzonitrile | CAS Registry Number: 2920-38-9
Synonyms: p-Cyanobiphenyl, p-Phenylbenzonitrile, 4-CYANOBIPHENYL, 4-Phenylbenzonitrile, Biphenyl-4-carbonitrile, 4-Biphenylcarboxylic acid nitrile, 225029_ALDRICH, (1,1'-Biphenyl)-4-carbonitrile, [1,1'-Biphenyl]-4-carbonitrile, EINECS 220-860-2, NSC176013, STK028923, ZINC01720496, NSC 176013, TL8002299, InChI=1/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9

Molecular Formula: C13H9NMolecular Weight: 179.217260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BPMBNLJJRKCCRT-UHFFFAOYSA-N

• 2-Bromo-5-fluorotoluene
IUPAC Name: 1-bromo-4-fluoro-2-methylbenzene | CAS Registry Number: 452-63-1
Synonyms: 3-Fluoro-6-bromotoluene, 365009_ALDRICH, NSC88287, EINECS 207-203-5, ZINC00160133, TL806299, ST5405135, InChI=1/C7H6BrF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H

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

InChIKey: RJPNVPITBYXBNB-UHFFFAOYSA-N

• 2,3-Difluorophenol
IUPAC Name: 2,3-difluorophenol | CAS Registry Number: 6418-38-8
Synonyms: Phenol, 2,3-difluoro-, 265322_ALDRICH, ZINC00409209, CID80879, JRD-0024, TL8004535

Molecular Formula: C6H4F2OMolecular Weight: 130.092166 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RPEPGIOVXBBUMJ-UHFFFAOYSA-N

• 2-Chloro-4-Methyl Pyridine
IUPAC Name: 2-chloro-4-methylpyridine | CAS Registry Number: 3678-62-4
Synonyms: 2-Chloro-4-picoline, 2-Chloro-4-methylpyridine, 4-Picoline, 2-chloro-, TPC-PY076, 116327_ALDRICH, Pyridine, 2-chloro-4-methyl-, EINECS 222-951-2, ZINC00388110, C184, InChI=1/C6H6ClN/c1-5-2-3-8-6(7)4-5/h2-4H,1H

Molecular Formula: C6H6ClNMolecular Weight: 127.571540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MZVSTDHRRYQFGI-UHFFFAOYSA-N

• (+/-)-trans-4-(Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
IUPAC Name: [4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol | CAS Registry Number: 109887-53-8
Synonyms: 4-(4-Fluorophenyl)-3-hydroxymethyl-1-methyl-piperidine, AG-D-26933, 4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine, trans-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine, Trans-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methyl-piperidine, PubChem15203, ACMC-20m3dp, ACMC-1BSBV, ACMC-20a15g, SureCN1944024, KSC497G2N, AGN-PC-00N9Z3, 3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3R,4R)-, CTK3J7326, MolPort-003-986-225, 100332-12-5, AC-449, AKOS005063663, MCULE-5497597796, RP27470

Molecular Formula: C13H18FNOMolecular Weight: 223.286523 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CXRHUYYZISIIMT-UHFFFAOYSA-N

• 5-Chloro-2-nitrobenzotrifluoride
IUPAC Name: 4-chloro-1-nitro-2-(trifluoromethyl)benzene | CAS Registry Number: 118-83-2
Synonyms: C60805_ALDRICH, EINECS 204-280-7, SBB009905, ZINC00057136, 4-Chloro-1-nitro-2-(trifluoromethyl)benzene, Benzene, 4-chloro-1-nitro-2-(trifluoromethyl)-, 5-Chloro-2-nitro-alpha,alpha,alpha-trifluorotoluene, 5-Chloro-alpha,alpha,alpha-trifluoro-2-nitrotoluene, T5652305

Molecular Formula: C7H3ClF3NO2Molecular Weight: 225.552430 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: CFPIGEXZPWTNOR-UHFFFAOYSA-N

• (1H)-7-(4'-Bromobutoxy)-3,4-dihydro-2-quinolinone
IUPAC Name: 7-(4-bromobutoxy)-3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 129722-34-5
Synonyms: 7-(4-Bromobutoxy)-3,4-dihydro-2(1H)-quinolinone, 3,4-Dihydro-7-(4-bromobutoxy)-2(1H)-quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-1H-quinolin-2-one, 7-(4-Bromo-butoxy)-3,4-dihydro-1H-quinolin-2-one, 2(1H)-Quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-, AG-D-60351, 7-(4-bromobutoxy)-3,4-dihydroquinolin-2(1H)-one, PubChem6002, SureCN8513, AGN-PC-0CTILM, ACMC-209bh8, QUI081, Jsp001809, CTK4B6379, MolPort-003-845-324, BB_SC-4613, ANW-19146, BBL011057, STK802231, ZINC15919788

Molecular Formula: C13H16BrNO2Molecular Weight: 298.175640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: URHLNHVYMNBPEO-UHFFFAOYSA-N

• (R)-(+)-Nobin
IUPAC Name: 1-(2-aminonaphthalen-1-yl)naphthalen-2-ol | CAS Registry Number: 137848-28-3
Synonyms: (R)-NOBIN, (S)-(-)-NOBIN, 137848-29-4, (S)-NOBIN, (R)-(+)-NOBIN, (S)-2'-Amino-[1,1'-binaphthalen]-2-ol, (R)-2-Amino-2'-hydroxy-1,1'-binaphthyl, 1-(2-aminonaphthalen-1-yl)naphthalen-2-ol, ST51011477, (R)-(+)-2-Amino-2'-hydroxy-1,1'-binaphthyl, 134532-03-9, NOBIN, PubChem6070, PubChem6075, AC1MUFYG, SureCN2068058, AC1Q526K, (R)-(-)-NOBIN, MolPort-001-836-307, 1-(2-aminonaphthyl)naphthalen-2-ol

Molecular Formula: C20H15NOMolecular Weight: 285.339200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HIXQCPGXQVQHJP-UHFFFAOYSA-N

• (R)-Styrene oxide
IUPAC Name: (2R)-2-phenyloxirane | CAS Registry Number: 20780-53-4
Synonyms: R-Phenyloxirane, (R)-Phenyloxirane, (R)-(+)-Styrene oxide, R-STYRENE OXIDE, (R)-(Epoxyethyl)benzene, (2R)-2-phenyloxirane, (R)-()-Phenyloxirane, (R)-()-Styrene oxide, (R)-Phenylethylene oxide, Oxirane, phenyl-, (2R)-, CCRIS 4093, MLS001066357, Benzene, (epoxyethyl)-, (R)-, 540099_ALDRICH, 78880_FLUKA, CHEBI:45389, ZINC00901251, LS-30064, LS-30065, SMR000471848

Molecular Formula: C8H8OMolecular Weight: 120.148520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AWMVMTVKBNGEAK-QMMMGPOBSA-N

• (S)-(+)-2,2,-Dimethylcyclopropane carboxamide
IUPAC Name: 2,2-dimethylcyclopropane-1-carboxamide | CAS Registry Number: 75885-58-4
Synonyms: 2,2-Dimethylcyclopropanecarboxamide, EINECS 278-334-3, (S)-2,2-Dimethylcyclopropanecarboxamide, 2,2-Dimethyl-cyclopropanecarboxylic acid amide

Molecular Formula: C6H11NOMolecular Weight: 113.157640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YBZQRYWKYBZZNT-UHFFFAOYSA-N

• (S)-(-)-3-Amino-1,2-propandiol
IUPAC Name: (2S)-3-aminopropane-1,2-diol | CAS Registry Number: 61278-21-5
Synonyms: (S)-3-Amino-1,2-propanediol, (S)-3-Aminopropane-1,2-diol, (S)-(-)-3-Amino-1,2-propanediol, AG-E-54014, (S)-(-)-3-AMINO-1,2-PROPANDIOL, 209849-99-0, AC1L9A5G, C3H9NO2, KSC496I7P, 473960_ALDRICH, (2S)-2,3-Dihydroxypropylamine, CTK3J6477, MolPort-003-934-096, ACN-S003732, ACT02383, ANW-33750, (2S)-3-Amino-1,2-dihydroxypropane, AKOS005138002, AC-7162, AG-G-23119

Molecular Formula: C3H9NO2Molecular Weight: 91.109060 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: KQIGMPWTAHJUMN-VKHMYHEASA-N

• 1-Amino Anthraquinone
IUPAC Name: 1-aminoanthracene-9,10-dione | CAS Registry Number: 82-45-1
Synonyms: Diazo Fast Red AL, Anthraquinone, 1-amino-, l-Aminoanthraquinone, 1-AMINOANTHRAQUINONE, 1-Aminoanthrachinon, alpha-Aminoanthraquinone, alpha-Anthraquinonylamine, 1-Amino-9,10-anthraquinone, 9,10-Anthracenedione, 1-amino-, 1-Aminoanthrachinon [Czech], .alpha.-Aminoanthraquinone, .alpha.-Anthraquinonylamine, NSC458, 1-Amino-9,10-anthracenedione, NSC 458, 9,10-Anthracenedione, amino-, 06770_FLUKA, A39009_SIAL, EINECS 201-423-5, CID6710

Molecular Formula: C14H9NO2Molecular Weight: 223.226760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KHUFHLFHOQVFGB-UHFFFAOYSA-N

• 2,4-Difluoroaniline
IUPAC Name: 2,4-difluoroaniline | CAS Registry Number: 367-25-9
Synonyms: 2,4-DIFLUOROANILINE, 2,4-Difluroaniline, Benzenamine, 2,4-difluoro-, Aniline, 2,4-difluoro-, 2,4-Difluorobenzenamine, CCRIS 4621, D101400_ALDRICH, 36870_FLUKA, EINECS 206-687-5, NSC 10297, LS-97, NSC10297, BRN 2802556, ZINC00157573, AI3-52650, SDCCGMLS-0066219.P001, NCGC00091684-01, SB 00555, TL8002710, 4-12-00-01112 (Beilstein Handbook Reference)

Molecular Formula: C6H5F2NMolecular Weight: 129.107406 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CEPCPXLLFXPZGW-UHFFFAOYSA-N

• 2-Fluorotoluene
IUPAC Name: 1-fluoro-2-methylbenzene | CAS Registry Number: 95-52-3
Synonyms: Toluene, o-fluoro-, O-FLUOROTOLUENE, 1-Fluoro-2-methylbenzene, Benzene, 1-fluoro-2-methyl-, 1-Methyl-2-fluorobenzene, Ambap7191, F15323_ALDRICH, NSC 8859, EINECS 202-428-5, CID7241, NSC8859, UN2388, BRN 1853362, LS-154075, o-Fluorotoluene [UN2388] [Flammable liquid], o-Fluorotoluene [UN2388] [Flammable liquid], 4-05-00-00799 (Beilstein Handbook Reference), InChI=1/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H

Molecular Formula: C7H7FMolecular Weight: 110.128883 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MMZYCBHLNZVROM-UHFFFAOYSA-N


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