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
  • (1-methyl-2-(trifluoromethyl)-1H-indol-5-yl)methanamine
  • (4-methoxytetrahydro-2H-pyran-4-yl)methyl 4-methylbenzenesulfonate
  • 3-(1H-pyrazol-1-yl)phenol
  • 4-(1,1-Dioxo-1$l^{6}-thiolan-2-yl)pyridin-1-ium-1-olate
  • 2-[3-(Aminomethyl)phenoxy]acetonitrile hydrochloride
  • 4-Amino-1,1-dioxo-5,6-dihydro-2H-1lambda6-thiopyran-3-carbonitrile
  • 1-(Morpholine-4-sulfonyl)piperidin-3-amine hydrochloride
  • 5,5-Dimethylhexan-2-amine
  • 2-(3-Methyl-4H-1,2,4-triazol-4-yl)ethan-1-amine
  • 4-(4-BOC-Aminophenyl)nicotinic acid
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