2-(Phenylsulfanyl)benzoic acid

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Names

[ CAS No. ]:
1527-12-4

[ Name ]:
2-(Phenylsulfanyl)benzoic acid

[Synonym ]:
Benzoic acid, 2-(phenylthio)-
2-Phenylmercapto-benzoesaeure
2-phenylsulfanylbenzoic acid
2-(Phenylsulfanyl)benzoic acid
S-Phenyl-thiosalicylsaeure
2-(PHENYLTHIO)BENZOIC ACID

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
381.5±25.0 °C at 760 mmHg

[ Molecular Formula ]:
C13H10O2S

[ Molecular Weight ]:
230.282

[ Flash Point ]:
184.5±23.2 °C

[ Exact Mass ]:
230.040146

[ PSA ]:
62.60000

[ LogP ]:
4.33

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.674

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH6475470
CHEMICAL NAME :
Benzoic acid, o-(phenylthio)-
CAS REGISTRY NUMBER :
1527-12-4
BEILSTEIN REFERENCE NO. :
2105456
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C13-H10-O2-S
MOLECULAR WEIGHT :
230.29
WISWESSER LINE NOTATION :
QVR BSR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 19,798,1976

Safety Information

[ HS Code ]:
2930909090

Precursor & DownStream

Precursor

  • 2-Iodobenzoic acid
  • Thiophenol
  • 2-Bromobenzoic acid
  • Iodobenzene
  • Thiosalicylic acid
  • Anthranilic acid
  • Phenylboronic acid
  • Bromobenzene

DownStream

  • Thiaxanthone
  • 9H-Thioxanthen-9-one,10,10-dioxide
  • Benzamide,N-methyl-2-(phenylthio)-
  • Benzoic acid, 2-(phenylsulfinyl)- (9CI)
  • 2-(4-nitro-benzenesulfinyl)-benzoic acid
  • (2-phenylsulfanylphenyl)methanol
  • thioxanthene
  • 2-[2-(Phenylthio)phenyl]acetic acid
  • AKOS DM0360
  • N-methoxy-2-phenylsulfanylbenzamide

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • 5-chloro-2-(phenylsulfanyl)benzoic acid
  • 2-phenylsulfanyl-benzoic acid methyl ester
  • 3-Nitro-2-phenylsulfanyl-benzoic acid
  • 5-AMINO-2-PHENYLSULFANYL-BENZOIC ACID METHYL ESTER
  • 3-(2-hydroxypropan-2-yl)-2-phenylsulfanyl-benzoic acid
  • 4-chloro-2-phenylsulfanylbenzoic acid
  • [1-({[(6-chloro-1H-indol-1-yl)acetyl]amino}methyl)cyclohexyl]acetic acid
  • 2-(6-bromo-1H-indol-1-yl)-N-(6-methylpyridin-2-yl)acetamide
  • N-[2-(trifluoromethyl)-1H-benzimidazol-5-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
  • 6-({[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]acetyl}amino)hexanoic acid
  • 2-(4-chlorobenzyl)-6-(4-fluoro-2-methoxyphenyl)pyridazin-3(2H)-one
  • 2-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxopyridazin-1(6H)-yl)-N-(4-methylthiazol-2-yl)acetamide
  • (4-Phenyl-1,2,3-thiadiazol-5-yl)[4-(pyridin-2-yl)piperazin-1-yl]methanone
  • 3-(4-bromo-1H-indol-1-yl)-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]propanamide
  • N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-1H-indole-5-carboxamide
  • 5-[4-(4-fluorophenyl)piperazino]-N-(1H-indol-6-yl)-5-oxopentanamide
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