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

Modify Date: 2025-09-18 13:00:16

2-[(3-Trifluoromethylphenyl)sulfinyl]benzoic acid structure	Common Name	2-[(3-Trifluoromethylphenyl)sulfinyl]benzoic acid
	CAS Number	58844-70-5	Molecular Weight	314.28000
	Density	1.54g/cm3	Boiling Point	468ºC at 760 mmHg
	Molecular Formula	C₁₄H₉F₃O₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	236.9ºC

Name	2-[3-(trifluoromethyl)phenyl]sulfinylbenzoic acid

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
InChIKey	TWLUUCVHAKXBJU-UHFFFAOYSA-N
SMILES	O=C(O)c1ccccc1S(=O)c1cccc(C(F)(F)F)c1

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

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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 2-[(3-Trifluoromethylphenyl)sulfinyl]benzoic acid
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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