2-[(3-Trifluoromethylphenyl)sulfinyl]benzoic acid

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Names

[ CAS No. ]:
58844-70-5

[ Name ]:
2-[(3-Trifluoromethylphenyl)sulfinyl]benzoic acid

Chemical & Physical Properties

[ Density]:
1.54g/cm3

[ Boiling Point ]:
468ºC at 760 mmHg

[ Molecular Formula ]:
C₁₄H₉F₃O₃S

[ Molecular Weight ]:
314.28000

[ Flash Point ]:
236.9ºC

[ Exact Mass ]:
314.02200

[ PSA ]:
73.58000

[ LogP ]:
4.43600

[ Index of Refraction ]:
1.623

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DH8630000

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

CAS REGISTRY NUMBER :: 58844-70-5

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C14-H9-F3-O3-S

MOLECULAR WEIGHT :: 314.29

WISWESSER LINE NOTATION :: QVR BSO&R 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 :: 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

Related Compounds

2-methyl-6-[3-(trifluoromethyl)phenyl]benzoic acid
2-fluoro-6-[3-(trifluoromethyl)phenyl]benzoic acid
2-chloro-6-[3-(trifluoromethyl)phenyl]benzoic acid
5-methyl-2-[3-(trifluoromethyl)phenyl]benzoic acid
4-nitro-2-[3-(trifluoromethyl)phenyl]benzoic acid
4-chloro-2-[3-(trifluoromethyl)phenyl]benzoic acid
2-Methyl-2-[1-(trifluoroacetyl)piperidin-4-yl]propanoic acid
2-[2,2-Dimethyl-1-(trifluoroacetyl)pyrrolidin-3-yl]acetic acid
tert-butyl N-[(4-bromo-5-chloro-1-methyl-1H-pyrazol-3-yl)methyl]carbamate
3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]propanoic acid
tert-butyl N-[(4-bromo-1-methyl-1H-pyrrol-2-yl)methyl]carbamate
tert-butyl N-[4-(2-chloroacetyl)-1,3-thiazol-2-yl]carbamate
rac-(1R,4S,7R)-2-(trifluoroacetyl)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid
benzyl N-benzyl-N-(3-hydroxy-3-methylbutyl)carbamate
benzyl N-benzyl-N-[2-hydroxy-2-(thiophen-2-yl)ethyl]carbamate
Benzyl 4-ethyl-4-(hydroxymethyl)piperidine-1-carboxylate

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