2-{[3-(trifluoromethyl)phenyl]thio}benzoic acid

Names

[ CAS No. ]:
16174-88-2

[ Name ]:
2-{[3-(trifluoromethyl)phenyl]thio}benzoic acid

[Synonym ]:
2-<3-Trifluormethyl-phenylmercapto>-benzoesaeure

Chemical & Physical Properties

[ Density]:
1.44g/cm3

[ Boiling Point ]:
388.2ºC at 760mmHg

[ Molecular Formula ]:
C₁₄H₉F₃O₂S

[ Molecular Weight ]:
298.28000

[ Flash Point ]:
188.5ºC

[ Exact Mass ]:
298.02800

[ PSA ]:
62.60000

[ LogP ]:
4.55480

[ Vapour Pressure ]:
1.01E-06mmHg at 25°C

[ Index of Refraction ]:
1.6

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DH8634000

CHEMICAL NAME :: Benzoic acid, o-((alpha,alpha,alpha-trifluoro-m-tolyl)thio)-

CAS REGISTRY NUMBER :: 16174-88-2

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C14-H9-F3-O2-S

MOLECULAR WEIGHT :: 298.29

WISWESSER LINE NOTATION :: QVR BSR CXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 300 mg/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

Synthetic Route

Click to get detail synthetic route

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%