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

Modify Date: 2023-09-05 10:39:03

2-{[3-(trifluoromethyl)phenyl]thio}benzoic acid Structure
2-{[3-(trifluoromethyl)phenyl]thio}benzoic acid structure
Common Name 2-{[3-(trifluoromethyl)phenyl]thio}benzoic acid
CAS Number 16174-88-2 Molecular Weight 298.28000
Density 1.44g/cm3 Boiling Point 388.2ºC at 760mmHg
Molecular Formula C14H9F3O2S Melting Point N/A
MSDS N/A Flash Point 188.5ºC

 Names

Name 2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid
Synonym More Synonyms

 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

 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%

 Synonyms

2-<3-Trifluormethyl-phenylmercapto>-benzoesaeure