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