3-(trifluoromethoxy)-4-(trifluoromethylsulfanyl)benzoic acid

Modify Date: 2025-08-24 19:30:24

3-(trifluoromethoxy)-4-(trifluoromethylsulfanyl)benzoic acid Structure
3-(trifluoromethoxy)-4-(trifluoromethylsulfanyl)benzoic acid structure
Common Name 3-(trifluoromethoxy)-4-(trifluoromethylsulfanyl)benzoic acid
CAS Number 647857-14-5 Molecular Weight 306.18200
Density N/A Boiling Point N/A
Molecular Formula C9H4F6O3S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-(trifluoromethoxy)-4-(trifluoromethylsulfanyl)benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C9H4F6O3S
Molecular Weight 306.18200
Exact Mass 305.97900
PSA 71.83000
LogP 3.89530
InChIKey MGKCUSNPXPDYSE-UHFFFAOYSA-N
SMILES O=C(O)c1ccc(SC(F)(F)F)c(OC(F)(F)F)c1

 Synthetic Route

~99%

3-(trifluoromethoxy)-4-(trifluoromethylsulfanyl)benzoic acid Structure

3-(trifluoromet...

CAS#:647857-14-5

Literature: VICURON PHARMACEUTICALS, INC. Patent: WO2004/7444 A2, 2004 ; Location in patent: Page 129 ;

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

3-trifluoromethoxy-4-trifluoromethylthiobenzoic acid
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