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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-Bromo-2,3,5-trifluorobenzene
IUPAC Name: 1-bromo-2,3,5-trifluorobenzene | CAS Registry Number: 133739-70-5
Synonyms: JRD-0417, ST5408597, TL8000802, InChI=1/C6H2BrF3/c7-4-1-3(8)2-5(9)6(4)10/h1-2

Molecular Formula: C6H2BrF3Molecular Weight: 210.979290 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XSMLLZPSNLQCQU-UHFFFAOYSA-N

• 2,4,5-Trifluoro-3-methoxybenzoic acid methyl ester
IUPAC Name: methyl 2,4,5-trifluoro-3-methoxybenzoate | CAS Registry Number: 136897-64-8
Synonyms: methyl 3-methoxy-2,4,5-trifluorobenzoate, 2,4,5-Trifluoro-3-Methoxybenzoic acid methyl ester, methyl 2,4,5-trifluoro-3-methoxybenzoate, SBB063869, Benzoic acid,2,4,5-trifluoro-3-methoxy-, methyl ester, 3-METHOXY-2,4,5-TRIFLUOROBENZOIC ACID METHYL ESTER, ACMC-20mwcy, PubChem2097, CTK4C0539, ATTERCOP-CHM AT137307, MolPort-001-771-740, ZINC16158229, AKOS015889765, AG-D-75186, AS01249, AS02470, AC-15692, AK-58660, FT-0643261, A802663

Molecular Formula: C9H7F3O3Molecular Weight: 220.145290 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: WRNVSUJHRFXTKQ-UHFFFAOYSA-N

• 3-Chloro-2-fluorobenzoic acid
IUPAC Name: 3-chloro-2-fluorobenzoic acid | CAS Registry Number: 161957-55-7
Synonyms: 2-Fluoro-3-chlorobenzoic acid, 536318_ALDRICH, NSC190683, JRD-0830, CID302931, ST5407162, TL8001231

Molecular Formula: C7H4ClFO2Molecular Weight: 174.556863 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FCSSYEWURMTUSM-UHFFFAOYSA-N

• 5-Chloro-1-indanone
IUPAC Name: 5-chloro-2,3-dihydroinden-1-one | CAS Registry Number: 42348-86-7
Synonyms: 433071_ALDRICH, ZINC00085658, 1H-Inden-1-one, 5-chloro-2,3-dihydro-, ST5405394, TL8003019

Molecular Formula: C9H7ClOMolecular Weight: 166.604280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MEDSHTHCZIOVPU-UHFFFAOYSA-N

• (S)-Glycidyl tosylate
IUPAC Name: [(2S)-oxiran-2-yl]methyl 4-methylbenzenesulfonate | CAS Registry Number: 70987-78-9
Synonyms: Glycidyl tosylate, (+)-Glycidyl tosylate, (2S)-(+)-Glycidyl tosylate, CCRIS 6400, (2S)-()-Glycidyl tosylate, 540129_ALDRICH, (S)-()-Glycidyl p-toluenesulfonate, BRN 3592143, CID153296, NSC636971, ZINC01624985, NCI60_012248, LS-101059, Oxiranemethanol, 4-methylbenzenesulfonate, (S)-, ST5319392, TL8004999, (S)-()-Oxirane-2-methanol p-toluenesulfonate, 5-17-03-00047 (Beilstein Handbook Reference)

Molecular Formula: C10H12O4SMolecular Weight: 228.264880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: NOQXXYIGRPAZJC-VIFPVBQESA-N

• 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

• 3,5-Difluoronitrobenzene
IUPAC Name: 1,3-difluoro-5-nitrobenzene | CAS Registry Number: 2265-94-3
Synonyms: Ambap387, 1,3-Difluoro-5-nitrobenzene, 306010_ALDRICH, Benzene, 1,3-difluoro-5-nitro-, NSC10260, EINECS 218-867-0, ZINC01706151, 3S106764

Molecular Formula: C6H3F2NO2Molecular Weight: 159.090326 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: AUQBBDWDLJSKMI-UHFFFAOYSA-N

• 3-Fluoro Nitro Benzene
IUPAC Name: 1-fluoro-3-nitrobenzene | CAS Registry Number: 402-67-5
Synonyms: m-Fluoronitrobenzene, m-Nitrofluorobenzene, 3-Fluoronitrobenzene, Benzene, 1-fluoro-3-nitro-, 1-FLUORO-3-NITROBENZENE, 128392_ALDRICH, 47160_FLUKA, NSC60651, EINECS 206-953-0, NSC 60651, ZINC01690401, TL8002925, Benzene, 1-fluoro-3-nitro- (8CI)(9CI), InChI=1/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4

Molecular Formula: C6H4FNO2Molecular Weight: 141.099863 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WMASLRCNNKMRFP-UHFFFAOYSA-N

• 2-Bromobenzotrifluoride
IUPAC Name: 1-bromo-2-(trifluoromethyl)benzene | CAS Registry Number: 392-83-6
Synonyms: o-Bromobenzotrifluoride, o-Bromobenzyltrifluoride, 2-Brombenzotrifluorid [Czech], o-(Trifluoromethyl)bromobenzene, Benzene, 1-bromo-2-(trifluoromethyl)-, B58806_ALDRICH, EINECS 206-879-9, 1-Bromo-2-(trifluoromethyl)benzene, 2-Bromo-alpha,alpha,alpha-trifluorotoluene, JRD-0409, BRN 1945750, TL806403, Toluene, alpha,alpha,alpha-trifluoro-2-bromo-, LS-154028, ST5406344, TOLUENE, o-BROMO-alpha,alpha,alpha-TRIFLUORO-, Toluene, o-bromo-.alpha.,.alpha.,.alpha.-trifluoro-, 4-05-00-00831 (Beilstein Handbook Reference), InChI=1/C7H4BrF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4

Molecular Formula: C7H4BrF3Molecular Weight: 225.005870 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RWXUNIMBRXGNEP-UHFFFAOYSA-N

• (R)-(-)-Epichlorohydrin
IUPAC Name: 2-(chloromethyl)oxirane | CAS Registry Number: 51594-55-9
Synonyms: EPICHLOROHYDRIN, Epichlorhydrin, Glycidyl chloride, Epichlorophydrin, 2-(Chloromethyl)oxirane, Chloromethyloxirane, epi-Chlorohydrin, alpha-Epichlorohydrin, Chloropropylene oxide, Chloropropylene, Epichlorhydrine, Epicloridrina, Chloromethyl, Oxirane, (chloromethyl)-, Polidexide, SKEKhG, Epichloorhydrine, Epichlorohydryna, 1-Chloro-2,3-epoxypropane, Glycerol epichlorohydrin

Molecular Formula: C3H5ClOMolecular Weight: 92.524200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BRLQWZUYTZBJKN-UHFFFAOYSA-N

• 2-Chloro-6-fluorobenzamide
IUPAC Name: 2-chloro-6-fluorobenzamide | CAS Registry Number: 66073-54-9
Synonyms: JRD-1079, EINECS 266-123-9, NSC148353, ZINC02516080, ST5407230

Molecular Formula: C7H5ClFNOMolecular Weight: 173.572103 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KLOZZZNFJYMTNE-UHFFFAOYSA-N

• (S)-(+)-Epichlorohydrin
IUPAC Name: (2S)-2-(chloromethyl)oxirane | CAS Registry Number: 67843-74-7
Synonyms: (S)-Epichlorohydrin, (S)-(Chloromethyl)oxirane, 2-(Chloromethyl)oxirane, (S)-()-Epichlorohydrin, CCRIS 6388, oxirane, 2-(chloromethyl)-, (2S)-2-(chloromethyl)oxirane, 540080_ALDRICH, Oxirane, (chloromethyl)-, (S)-, 45327_FLUKA, CHEBI:37145, (S)-()-2-(Chloromethyl)oxirane, BRN 1420784, ZINC01487602, SB 02049, LS-101031, TL8004778, 5-17-01-00021 (Beilstein Handbook Reference), InChI=1/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H, 106-89-8

Molecular Formula: C3H5ClOMolecular Weight: 92.524200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BRLQWZUYTZBJKN-GSVOUGTGSA-N

• 2-Thiopheneacetic Acid
IUPAC Name: 2-thiophen-2-ylacetic acid | CAS Registry Number: 1918-77-0
Synonyms: 2-Thiopheneacetic acid, 2-Thienylacetic acid, Thiopheneacetic acid, 1ajq, Thien-2-ylacetate, thien-2-ylacetic acid, thiophen-2-ylacetic acid, THIOPHENE-2-ACETIC ACID, 195944_ALDRICH, 2-THIOPHENE ACETIC ACID, CHEBI:45807, AIDS018338, AIDS-018338, EINECS 217-639-8, SBB004145, TL8001569, C02595, SPA, 69492-74-6

Molecular Formula: C6H6O2SMolecular Weight: 142.175640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SMJRBWINMFUUDS-UHFFFAOYSA-N

• 4,4 - Dimethoxytrityl Chloride
IUPAC Name: 1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene | CAS Registry Number: 40615-36-9
Synonyms: DMT-Cl, 4,4'-Dimethoxytrityl chloride, 100013_ALDRICH, 38827_FLUKA, NSC89782, EINECS 255-002-6, SBB006479, ZINC03860826, Chloro-4,4'-dimethoxytriphenylmethane, 4,4'-Dimethoxytriphenylmethyl chloride, Methane, chlorobis(p-methoxyphenyl)phenyl-, 1,1'-(Chlorophenylmethylene)bis(4-methoxybenzene), Benzene, 1,1'-(chlorophenylmethylene)bis(4-methoxy-, DMT

Molecular Formula: C21H19ClO2Molecular Weight: 338.827360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JBWYRBLDOOOJEU-UHFFFAOYSA-N

• 1-Bromo-3,4,5-Trifluorobenzene
IUPAC Name: 1-bromo-2,4,5-trifluorobenzene | CAS Registry Number: 327-52-6
Synonyms: 1-Bromo-2,4,5-trifluorobenzene, Ambap2871, 247979_ALDRICH, Benzene, 1-bromo-2,4,5-trifluoro-, JRD-0168, EINECS 206-318-8, TL8002467, InChI=1/C6H2BrF3/c7-3-1-5(9)6(10)2-4(3)8/h1-2

Molecular Formula: C6H2BrF3Molecular Weight: 210.979290 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DVTULTINXNWGJY-UHFFFAOYSA-N

• 2'-Deoxyadenosine
IUPAC Name: (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol | CAS Registry Number: 958-09-8
Synonyms: deoxyadenosine, 2'-deoxyadenosine, Desoxyadenosine, Adenyldeoxyriboside, Adenine deoxyribose, Adenine deoxy nucleoside, Adenine deoxyribonucleoside, 2'-Deoxyformycin A, ADENOSINE, 2'-DEOXY-, CCRIS 1782, 2'-dA, ADENINE DESOXYRIBOSIDE, nchembio.2007.39-comp4, STOCK1N-51172, ACon0_001347, CHEBI:17256, EINECS 213-488-7, NSC 83258, AIDS021670, NSC 141848

Molecular Formula: C10H13N5O3Molecular Weight: 251.241920 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: OLXZPDWKRNYJJZ-RRKCRQDMSA-N

• 4-Fluoro Benzotrifluoride
IUPAC Name: 1-fluoro-4-(trifluoromethyl)benzene | CAS Registry Number: 402-44-8
Synonyms: p-Fluorobenzotrifluoride, 4-Fluorobenzotrifluoride, p-Fluorotrifluoromethylbenzene, NCIOpen2_001285, p-(Trifluoromethyl)fluorobenzene, 1-Fluoro-4-(trifluoromethyl)benzene, 195359_ALDRICH, alpha,alpha,alpha,4-Tetrafluorotoluene, Benzene, 1-fluoro-4-(trifluoromethyl)-, JRD-0200, NSC88289, EINECS 206-944-1, NSC 88289, ZINC00164437, alpha,alpha,alpha,p-Tetrafluorotoluene, Toluene, p,alpha,alpha,alpha-tetrafluoro-, ST5406422, .alpha.,.alpha.,.alpha.,p-Tetrafluorotoluene, p,.alpha.,.alpha.,.alpha.-Tetrafluorotoluene, Toluene, p,.alpha.,.alpha.,.alpha.-tetrafluoro-

Molecular Formula: C7H4F4Molecular Weight: 164.100273 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UNNNAIWPDLRVRN-UHFFFAOYSA-N

• 2-Bromobutyric Acid
IUPAC Name: 2-bromobutanoic acid | CAS Registry Number: 80-58-0
Synonyms: 2-BROMOBUTYRIC ACID, 2-Bromobutanoic acid, alpha-Bromobutyric acid, .alpha.-Bromobytyric acid, Butanoic acid, 2-bromo-, Butyric acid, 2-bromo-, .alpha.-Bromobutyric acid, WLN: QVYE2, Butyric acid, alpha-bromo-, Butyric acid, .alpha.-bromo-, 147877_ALDRICH, 16510_FLUKA, NSC8024, Butyric acid, 2-bromo- (8CI), NSC 8024, EINECS 201-294-5, AI3-52295, ST5214343, TL8005416, 2385-70-8

Molecular Formula: C4H7BrO2Molecular Weight: 167.001180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YAQLSKVCTLCIIE-UHFFFAOYSA-N

• 2-Deoxy-D-Ribose
IUPAC Name: (2S,4S,5R)-oxane-2,4,5-triol | CAS Registry Number: 533-67-5
Synonyms: Thyminose, D-2-Deoxyribose, D-2-Desoxyribose, 2-Deoxy-alpha-D-ribopyranose, CHEBI:27806, ZINC00164946, 2-deoxy-alpha-D-erythro-pentopyranose, C08347

Molecular Formula: C5H10O4Molecular Weight: 134.130500 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: ZVQAVWAHRUNNPG-LMVFSUKVSA-N

• 1,2,3-Trimethoxy Benzene
IUPAC Name: 1,2,3-trimethoxybenzene | CAS Registry Number: 634-36-6
Synonyms: Methylsyringol, Tri-O-methylpyrogallol, Pyrogallol trimethyl ether, 1,2,3-TRIMETHOXYBENZENE, Methylsyringol (VAN), Benzene, 1,2,3-trimethoxy-, 137995_ALDRICH, 92159_FLUKA, CID12462, NSC10124, EINECS 211-207-2, NSC 10124, ZINC00152503, AI3-02077, ST5406631, TL8004419

Molecular Formula: C9H12O3Molecular Weight: 168.189780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CRUILBNAQILVHZ-UHFFFAOYSA-N

• 1,4-Di(Trifluoromethyl)Benzene
IUPAC Name: 1,4-bis(trifluoromethyl)benzene | CAS Registry Number: 433-19-2
Synonyms: Hexafluoro-p-xylene, 1,4-Bis(trifluoromethyl)benzene, p-Bis(trifluoromethyl)benzene, Benzene, 1,4-bis(trifluoromethyl)-, 290912_ALDRICH, 1,4-Bis(trifluoromethyl)-benzene, NSC61992, EINECS 207-086-0, NSC 61992, B104, ST5307029, TL8003048, p-Xylene, .alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-hexafluoro-, alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-p-xylene, p-Xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro- (8CI), .alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-Hexafluoro-p-xylene, InChI=1/C8H4F6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4

Molecular Formula: C8H4F6Molecular Weight: 214.107779 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: PDCBZHHORLHNCZ-UHFFFAOYSA-N

• 1-Bromo 3 4 5-Trifluoro Benzene
IUPAC Name: 5-bromo-1,2,3-trifluorobenzene | CAS Registry Number: 138526-69-9
Synonyms: 1-Bromo-3,4,5-trifluorobenzene, 5-Bromo-1,2,3-trifluorobenzene, 330841_ALDRICH, JRD-0167, ST5405271, TL8000876, InChI=1/C6H2BrF3/c7-3-1-4(8)6(10)5(9)2-3/h1-2

Molecular Formula: C6H2BrF3Molecular Weight: 210.979290 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HKJCELUUIFFSIN-UHFFFAOYSA-N

• 3,4-Difluoroaniline
IUPAC Name: 3,4-difluoroaniline | CAS Registry Number: 3863-11-4
Synonyms: 3,4-Difluorobenzenamine, Benzenamine, 3,4-difluoro-, Aniline, 3,4-difluoro-, 270237_ALDRICH, NSC10296, 36883_FLUKA, EINECS 223-381-7, Aniline, 3,4-difluoro- (6CI), CID77469, BRN 0971235, SBB007915, ZINC00388528, FR-0575, LS-28261, TL8000010, 4-12-00-01113 (Beilstein Handbook Reference)

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

InChIKey: AXNUZKSSQHTNPZ-UHFFFAOYSA-N

• 3-Chlorobenzotrifluoride
IUPAC Name: 1-chloro-3-(trifluoromethyl)benzene | CAS Registry Number: 98-15-7
Synonyms: M-CHLOROBENZOTRIFLUORIDE, m-Trifluoromethylphenyl chloride, Meta(trifluoromethyl)chlorobenzene, 1-Chloro-3-(trifluoromethyl)benzene, CCRIS 2810, C26208_ALDRICH, 234419_ALDRICH, Benzene, 1-chloro-3-(trifluoromethyl)-, EINECS 202-642-9, NSC 10308, NSC10308, 3-Chloro-alpha,alpha,alpha-trifluorotoluene, AI3-52623, LS-2040, m-Chloro-alpha,alpha,alpha-trifluorotoluene, NCGC00091654-01, ST5406480, TL8006035, Toluene, m-chloro-alpha,alpha,alpha-trifluoro-, m-Chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene

Molecular Formula: C7H4ClF3Molecular Weight: 180.554870 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YTCGOUNVIAWCMG-UHFFFAOYSA-N

• 4-Aminobenzotrifluoride
IUPAC Name: 4-(trifluoromethyl)aniline | CAS Registry Number: 455-14-1
Synonyms: p-Aminobenzotrifluoride, p-Trifluoromethylaniline, 4-Trifluoromethylaniline, 4-(Trifluoromethyl)aniline, Benzenamine, 4-(trifluoromethyl)-, WLN: ZR CXFFF, 4-(Trifluoromethyl)benzenamine, Aniline, p-(trifluoromethyl)-, p-(Trifluoromethyl)aniline, 224936_ALDRICH, 07071_FLUKA, alpha,alpha,alpha-Trifluoro-p-toluidine, EINECS 207-236-5, NSC 10337, alpha,alpha,alpha-Trifluoro-p-anisidine, JRD-0149, NSC10337, BRN 1564853, SBB003956, ZINC00164442

Molecular Formula: C7H6F3NMolecular Weight: 161.124450 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ODGIMMLDVSWADK-UHFFFAOYSA-N

• (2r)-2-Amino-1-Propanol
IUPAC Name: 2-aminopropan-1-ol | CAS Registry Number: 35320-23-1
Synonyms: Alaninol, d-Alaninol, 2-Aminopropanol, 2-Amino-1-propanol, DL-Alaninol, beta-Propanolamine, 1-Propanol, 2-amino-, D,L-Alaninol, .beta.-Propanolamine, 2-Aminopropan-1-ol, 2-Amino-2-methylethanol, 1-Hydroxy-2-aminopropane, 1-Methyl-2-hydroxyethylamine, ()-2-Amino-1-propanol, (+)-2-Aminopropan-1-ol, (R)-(-)-2-Amino-1-propanol, 1-Propanol, 2-amino-, DL-, 1-Propanol, 2-amino-, (S)-, 192171_ALDRICH, ARK011

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

InChIKey: BKMMTJMQCTUHRP-UHFFFAOYSA-N

• (S)-N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenylthio)-2-hydroxy-2-methylpropanamide
IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide | CAS Registry Number: 90356-78-8
Synonyms: N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide, N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)thio)-2-hydroxy-2-methylpropanamide, H-(4-Cyano-3-trifluoromthylphenyl)-3-(4-flourophenylsulfanyl)-2-hydroxy-2-methylpropionamide, Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methyl-, n-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)thio)-2-hydroxy-2-methylpropionamide, N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropanamide, Bicalutamide Sulfide, SureCN899788, KSC486M2N, AGN-PC-0006AA, UNII-135IE10O4Y, CHEMBL171543, CTK3I6626, MolPort-003-987-412, ANW-46053, AKOS015836118, AC-17498, AK-78897, KB-55905, N767

Molecular Formula: C18H14F4N2O2SMolecular Weight: 398.374573 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: GCGWWKKSGPETMI-UHFFFAOYSA-N

• 2,4-Difluorobenzonitrile
IUPAC Name: 2,4-difluorobenzonitrile | CAS Registry Number: 103496-86-2
Synonyms: 3939-09-1, 2,4-Difluorobenzenecarbonitrile, ZINC00159425, PubChem1563, ACMC-1BOHP, AC1L2TAA, AC1Q4LOF, SureCN57346, 2,4-difluoro-benzonitrile, KSC493M5D, Benzonitrile, 2,4-difluoro-, 2,4-Difluorobenzonitrile 98%, 264326_ALDRICH, Jsp000018, CTK3J3651, LJFDXXUKKMEQKE-UHFFFAOYSA-, MolPort-000-154-288, BB_SC-3006, ACT06928, JRD-0080

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

InChIKey: LJFDXXUKKMEQKE-UHFFFAOYSA-N

• 2-Fluorophenylhydrazine Hydrochloride (CAS: 924-15-4)
• 1,1-Cyclohexanediacetic Acid
IUPAC Name: 2-[1-(carboxymethyl)cyclohexyl]acetic acid | CAS Registry Number: 4355-11-7
Synonyms: 1,1-Cyclohexanediacetic acid, Cyclohexanediacetic acid, 1,1-Cyclohexane diacetic acid, Oprea1_388207, 171344_ALDRICH, CID78061, NSC39839, EINECS 224-427-9, NSC169443, [1-(carboxymethyl)cyclohexyl]acetic acid, AN-829/41297703, T5641089, 9355-11-7

Molecular Formula: C10H16O4Molecular Weight: 200.231640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: YQPCHPBGAALCRT-UHFFFAOYSA-N

• 1,3,5-Trimethoxybenzene
IUPAC Name: 1,3,5-trimethoxybenzene | CAS Registry Number: 621-23-8
Synonyms: sym-Trimethoxybenzene, Phloroglucinol trimethyl ether, Benzene, 1,3,5-trimethoxy-, 1,3,5-Trimethyoxybenzene, Spectrum_001404, Spectrum2_000426, Spectrum3_001030, Spectrum4_001163, Spectrum5_001766, NCIOpen2_001419, BSPBio_002819, KBioGR_001765, KBioSS_001884, SPECTRUM231043, SPBio_000412, 138827_ALDRICH, O,O,O-1,3,5-Trimethylresorcinol, EINECS 210-673-4, KBio2_001884, KBio2_004452

Molecular Formula: C9H12O3Molecular Weight: 168.189780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LKUDPHPHKOZXCD-UHFFFAOYSA-N

• 3-Chloride-2-Methaniline
IUPAC Name: 3-chloro-2-methylaniline | CAS Registry Number: 87-60-5
Synonyms: 3-Chloro-o-toluidine, Scarlet TR Base, 3-Chloro-2-methylaniline, 2-Amino-6-chlorotoluene, o-Toluidine, 3-chloro-, Fast Scarlet TR Base, 3-Chloro-2-toluidine, o-Methyl-m-chloroaniline, 6-Chloro-2-aminotoluene, Azoic Diazo Component 46, 3-Chlor-2-toluidin, Benzenamine, 3-chloro-2-methyl-, 6-Chloro-ortho-toluidine, para-Chloro-ortho-toluidine, Toluene, 2-amino-6-chloro-, 3-Chlor-2-toluidin [Czech], 3-Chloro-2-toluidin [Czech], WLN: ZR CG B1, 1-Amino-3-chloro-2-methylbenzene, HSDB 5252

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

InChIKey: ZUVPLKVDZNDZCM-UHFFFAOYSA-N

• 4-Nitrochlorobenzene
IUPAC Name: 1-chloro-4-nitrobenzene | CAS Registry Number: 100-00-5
Synonyms: 4-Chloronitrobenzene, p-Chloronitrobenzene, p-Nitrochlorobenzene, PNCB, 1-CHLORO-4-NITROBENZENE, Nitrochlorobenzene, p-Nitrophenyl chloride, Benzene, 1-chloro-4-nitro-, p-Nitrochlorobenzol, p-Nitroclorobenzene, p-Nitrochloorbenzeen, 1-Nitro-4-chlorobenzene, 4-Chloro-1-nitrobenzene, 4-Nitro-1-chlorobenzene, 1,4-Chloronitrobenzene, 1-Chlor-4-nitrobenzol, 1-Cloro-4-nitrobenzene, 1-Chloor-4-nitrobenzeen, WLN: WNR DG, p-Nitrochloorbenzeen [Dutch]

Molecular Formula: C6H4ClNO2Molecular Weight: 157.554460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CZGCEKJOLUNIFY-UHFFFAOYSA-N

• 1-(2,3-Dichlorophenyl)piperazine hydrochloride
IUPAC Name: 1-(2,3-dichlorophenyl)piperazine;hydrochloride | CAS Registry Number: 119532-26-2
Synonyms: 41202-77-1, 1-(2,3-Dichlorophenyl)piperazine monohydrochloride, SBB003054, 1-(2,3-Dichlorophenyl)-piperazine hydrochloride, 1-(2,3-dichlorophenyl)-piperazine monohydrochloride, (2,3-dichlorophenyl)piperazine, chloride, zlchem 392, PubChem8589, SureCN246338, AGN-PC-00D0JT, ACMC-209a34, 679135_ALDRICH, CTK0H4814, ZLC0238, MolPort-001-769-710, ACN-S002575, ACN-S002576, ACT02157, ANW-17342, FC0193

Molecular Formula: C10H13Cl3N2Molecular Weight: 267.582620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CYQFNNSFAGXCEC-UHFFFAOYSA-N

• (1S,2S)-Cyclohexane-1,2-diamine
IUPAC Name: cyclohexane-1,2-diamine | CAS Registry Number: 21436-03-3
Synonyms: 1,2-Cyclohexanediamine, 1,2-Cylohexanediamine, cis-1,2-Cyclohexanediamine, 1,2-DIAMINOCYCLOHEXANE, cis-1,2-Cyclohexandiamine, Cyclohex-1,2-ylenediamine, trans-1,2-Cyclohexanediamine, cyclohexane-1,2-diamine, trans-1,2-Cyclohexaneiamine, HSDB 5748, 132551_ALDRICH, 293962_ALDRICH, (+)-S,S-1,2-Diaminocyclohexane, EINECS 211-776-7, CID4610, (1S,2S)-(+)-1,2-Diaminocyclohexane, (-)-R,R-1,2-Diaminocyclohexane, BRN 0506142, NSC362640, NSC362641

Molecular Formula: C6H14N2Molecular Weight: 114.188760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SSJXIUAHEKJCMH-UHFFFAOYSA-N

• (S)-(+)-1-Phenyl-1,2-ethanediol
IUPAC Name: (1S)-1-phenylethane-1,2-diol | CAS Registry Number: 25779-13-9
Synonyms: (S)-(+)-1-Phenylethane-1,2-diol, (S)-1-Phenylethane-1,2-diol, (1S)-1-phenylethane-1,2-diol, (S)-1-phenyl-1,2-ethanediol, (S)-(-)-1-Phenyl-1,2-ethanediol, AG-E-79635, ST51037659, (-)-Styrene glycol, (R)-(-)-Phenylethylene glycol, (+)-Styrene glycol, PubChem7148, (S)-(+)-Styreneglycol, (S)-(+)-Styrene glycol, AC1LD6Y2, SureCN1947849, KSC201S3B, 302155_ALDRICH, Jsp005095, (S)-(+)-Phenylethylene glycol, CTK1A1930

Molecular Formula: C8H10O2Molecular Weight: 138.163800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PWMWNFMRSKOCEY-MRVPVSSYSA-N

• (S)-2-Chloropropionic acid
IUPAC Name: (2S)-2-chloropropanoic acid | CAS Registry Number: 29617-66-1
Synonyms: (2S)-Chloropropanoic acid, L-2-Chloropropanoic acid, L-2-Chloropropionic acid, alpha-L-Chloropropionic acid, (S)-2-Chloropropanoic acid, 2S-chloropropanoic acid, 2(S)-Chloropropionic acid, beta-Chloropropionic acid, 2(S)-Chloropropionic ac, Propanoic acid, 2-chloro-, L-alpha-Chloropropionic acid, (-)-2-Chloropropanoic acid, (-)-2-Chloropropionic acid, 2-CHLOROPROPANOIC ACID, Propanoic acid, 2-chloro-, (S)-, Propionic acid, 2-chloro-, L-, 306797_ALDRICH, LMFA01090032, Propionic acid, 2-chloro-, L- (8CI), SB 01780

Molecular Formula: C3H5ClO2Molecular Weight: 108.523600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GAWAYYRQGQZKCR-REOHCLBHSA-N

• 4-Nitro-1,8-naphthalic anhydride
Synonyms: SBB067272, 4-Nitronaphthalene-1,8-dicarboxylic anhydride, 6-nitro-1h,3h-benzo[de]isochromene-1,3-dione, 6642-29-1, 4-Nitronaphthalic anhydride, AC1Q1ZRS, 324345_ALDRICH, AC1L30Q0, Jsp006198, Naphthalic anhydride, 4-nitro-, 73506_FLUKA, CTK5C4728, MolPort-000-564-725, NSC15356, EINECS 229-659-4, AR-1H2378, NSC-15356, AKOS000442643, AKOS015916637, 4-Nitro-1,8-naphthalic acid anhydride

Molecular Formula: C12H5NO5Molecular Weight: 243.171800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: LKOZHLXUWUBRDK-UHFFFAOYSA-N

• 2-Cyanobenzotrifluoride
IUPAC Name: 2-(trifluoromethyl)benzonitrile | CAS Registry Number: 447-60-9
Synonyms: o-Trifluoromethylbenzonitrile, 2-(Trifluoromethyl)benzonitrile, a,a,a-trifluoro-o-tolunitrile, 232947_ALDRICH, EINECS 207-184-3, JRD-0228, NSC88312, ZINC00157054, alpha,alpha,alpha-Trifluoro-o-tolunitrile, alpha,alpha,alpha-Trifluoro-2-toluonitrile, LS-184876, ST5406499, .alpha.,.alpha.,.alpha.-Trifluoro-o-tolunitrile, TL80074085

Molecular Formula: C8H4F3NMolecular Weight: 171.119270 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: SOZGHDCEWOLLHV-UHFFFAOYSA-N

• (R)-4-Glycidyl butyrate
IUPAC Name: [(2R)-oxiran-2-yl]methyl butanoate | CAS Registry Number: 60456-26-0
Synonyms: (R)-Glycidyl butyrate, 338125_ALDRICH, 50038_FLUKA, 92343_FLUKA, ZINC01730609, (R)-(−)-Glycidyl butyrate, SB 01469, TL8003828, (R)-(−)-Oxirane-2-methanol butyrate

Molecular Formula: C7H12O3Molecular Weight: 144.168380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YLNSNVGRSIOCEU-ZCFIWIBFSA-N

• 2-(Trifluoromethoxy)bromobenzene
IUPAC Name: 1-bromo-2-(trifluoromethoxy)benzene | CAS Registry Number: 64115-88-4
Synonyms: 2-Bromotrifluoromethoxybenzene, 553891_ALDRICH, ZINC04242145, JRD-0655, 1-Bromo-2-(trifluoromethoxy)benzene, CID2777266, TL806341, ST5320197

Molecular Formula: C7H4BrF3OMolecular Weight: 241.005270 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ITYCJCVRPBLODP-UHFFFAOYSA-N

• 5,5'-Dimethyloxazolidine-2,4-dione;5,5-Dimethyl-2,4-oxazolidinedione
IUPAC Name: 5,5-dimethyl-1,3-oxazolidine-2,4-dione | CAS Registry Number: 695-53-4
Synonyms: dimethadione, Dimethadion, Eupractone, Propazone, Dimethyloxazolidinedione, Dimetadione [DCIT], Prestwick_55, Ambap1620, Spectrum_000801, Dimethadione [USAN:INN], Dimetadiona [INN-Spanish], Dimethadionum [INN-Latin], BAX 1400Z, Prestwick0_000829, Prestwick1_000829, Prestwick2_000829, Prestwick3_000829, Spectrum2_000108, Spectrum3_000398, Spectrum4_000518

Molecular Formula: C5H7NO3Molecular Weight: 129.113980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JYJFNDQBESEHJQ-UHFFFAOYSA-N

• 4-Hydroxyindole
IUPAC Name: 1H-indol-4-ol | CAS Registry Number: 2380-94-1
Synonyms: Hydroxyindole, 4-Indolol, 1H-Indol-4-ol, 4-hydroxyindole, 18, 219878_ALDRICH, EINECS 219-177-2, ZINC00153008, F2313G1, SDCCGMLS-0065859.P001, ST5330636, TL8001968, C02040, H-6000, H-6010

Molecular Formula: C8H7NOMolecular Weight: 133.147280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NLMQHXUGJIAKTH-UHFFFAOYSA-N

• (+/-)-trans-1,2-Diaminocyclohexane
IUPAC Name: (1R,2R)-cyclohexane-1,2-diamine | CAS Registry Number: 1121-22-8
Synonyms: trans-1,2-Cyclohexanediamine, 270016_ALDRICH, 346721_ALDRICH, 1,2-CYCLOHEXANE DIAMINE, 1R,2R-DIAMINOCYCLOHEXANE, 32846_FLUKA, ()-trans-1,2-Cyclohexanediamine, ()-trans-1,2-Diaminocyclohexane, CID43806, (1R)-trans-1,2-Cyclohexanediamine, (1R,2R)-cyclohexane-1,2-diamine, SBB007639, FR-0020, TL8001695, (1R,2R)-(−)-1,2-Diaminocyclohexane, DNH, InChI=1/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m1/s, 694-83-7

Molecular Formula: C6H14N2Molecular Weight: 114.188760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SSJXIUAHEKJCMH-PHDIDXHHSA-N

• (S)-Glycidyl nosylate
IUPAC Name: [(2S)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate | CAS Registry Number: 115314-14-2
Synonyms: CCRIS 6394, Glycidyl 3-nitrobenzenesulfonate, 50048_FLUKA, (S)-Glycidyl 3-nitrobenzenesulfonate, BRN 4704456, ZINC02560379, (S)-(+)-Glycidyl 3-nitrobenzenesulfonate, Oxiranylmethyl (S)-3-nitrobenzenesulfonate, (S)-()-Glycidyl 3-nitrobenzenesulfonate, LS-32037, (S)-()-Oxirane-2-methanol 3-nitrobenzenesulfonate, Benzenesulfonic acid, 3-nitro-, oxiranylmethyl ester, (S)-

Molecular Formula: C9H9NO6SMolecular Weight: 259.235860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: AIHIHVZYAAMDPM-QMMMGPOBSA-N

• 4-Bromo-2,6-dimethylaniline
IUPAC Name: 4-bromo-2,6-dimethylaniline | CAS Registry Number: 24596-19-8
Synonyms: 4-Bromo-2,6-xylidine, 192376_ALDRICH, ZERO/001876, Benzenamine, 4-bromo-2,6-dimethyl-, EINECS 246-337-9, NSC227944, ZINC00152830, FR-0954, TL806435, InChI=1/C8H10BrN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H

Molecular Formula: C8H10BrNMolecular Weight: 200.075700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QGLAYJCJLHNIGJ-UHFFFAOYSA-N

• 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine
IUPAC Name: 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine | CAS Registry Number: 39577-43-0
Synonyms: NSC520934, EINECS 254-529-9, CID101444, ST5307311

Molecular Formula: C13H18Cl2N2Molecular Weight: 273.201420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NDQKGEFMUGSRNS-UHFFFAOYSA-N

• (R)-3-Chloro-1,2-propanediol
IUPAC Name: (2R)-3-chloropropane-1,2-diol | CAS Registry Number: 57090-45-6
Synonyms: CCRIS 7387, MLS001074871, 540056_ALDRICH, (R)-alpha-Glycerol chlorohydrin, 26075_FLUKA, 1,2-Propanediol, 3-chloro-, (R)-, c0081, ZINC02041175, (R)-( )-3-Chloro-1,2-propanediol, (R)-(-)-3-Chloro-1,2-propanediol, SMR000469516, LS-188656, TL8003675, (R)-(−)-3-Chloro-1,2-propanediol, 96-24-2

Molecular Formula: C3H7ClO2Molecular Weight: 110.539480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SSZWWUDQMAHNAQ-VKHMYHEASA-N

• 5-Chloro-2-fluorobenzonitrile
IUPAC Name: 5-chloro-2-fluorobenzonitrile | CAS Registry Number: 57381-34-7
Synonyms: Ambap5451, 548693_ALDRICH, ZINC00404104, CID93653, JRD-1142, EINECS 260-710-3

Molecular Formula: C7H3ClFNMolecular Weight: 155.556823 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GJNJDELEHIGPKJ-UHFFFAOYSA-N

• 3-Chloro-4-fluorobenzotrifluoride
IUPAC Name: 2-chloro-1-fluoro-4-(trifluoromethyl)benzene | CAS Registry Number: 78068-85-6
Synonyms: CID157153, ST5407002, TL8005346, Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)-

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

InChIKey: BKHVEYHSOXVAOP-UHFFFAOYSA-N


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