3-(Trifluoromethylthio)benzoic acid

Modify Date: 2024-01-11 18:55:27

3-(Trifluoromethylthio)benzoic acid Structure
3-(Trifluoromethylthio)benzoic acid structure
Common Name 3-(Trifluoromethylthio)benzoic acid
CAS Number 946-65-6 Molecular Weight 222.184
Density 1.5±0.1 g/cm3 Boiling Point 229.5±40.0 °C at 760 mmHg
Molecular Formula C8H5F3O2S Melting Point 71-74 °C(lit.)
MSDS Chinese USA Flash Point 92.6±27.3 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 3-(Trifluoromethylthio)benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 229.5±40.0 °C at 760 mmHg
Melting Point 71-74 °C(lit.)
Molecular Formula C8H5F3O2S
Molecular Weight 222.184
Flash Point 92.6±27.3 °C
Exact Mass 221.996231
PSA 62.60000
LogP 3.33
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.537

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S36
RIDADR NONH for all modes of transport
WGK Germany 3
HS Code 2930909090

 Synthetic Route

~89%

3-(Trifluoromethylthio)benzoic acid Structure

3-(Trifluoromet...

CAS#:946-65-6

Literature: Kondratenko, N. V.; Kolomeitsev, A. A.; Popov, V. I.; Il'chenko, A. Ya.; Korzhenevskaya, N. G.; et al. J. Gen. Chem. USSR (Engl. Transl.), 1983 , vol. 53, # 11 p. 2500 - 2505,2254 - 2258

~64%

3-(Trifluoromethylthio)benzoic acid Structure

3-(Trifluoromet...

CAS#:946-65-6

Literature: Munavalli, S.; Hassner, A.; Rossman, D. I.; Singh, S.; Rohrbaugh, D. K.; Ferguson, C. P. Journal of Fluorine Chemistry, 1995 , vol. 73, # 1 p. 7 - 12

~%

3-(Trifluoromethylthio)benzoic acid Structure

3-(Trifluoromet...

CAS#:946-65-6

Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 53, # 11 p. 2500 - 2505,2254 - 2258

~%

3-(Trifluoromethylthio)benzoic acid Structure

3-(Trifluoromet...

CAS#:946-65-6

Literature: Journal of Organic Chemistry, , vol. 29, p. 895 - 898

~%

3-(Trifluoromethylthio)benzoic acid Structure

3-(Trifluoromet...

CAS#:946-65-6

Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 31, p. 1315 - 1320,1219 - 1223

~%

3-(Trifluoromethylthio)benzoic acid Structure

3-(Trifluoromet...

CAS#:946-65-6

Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 31, p. 1315 - 1320,1219 - 1223

~%

3-(Trifluoromethylthio)benzoic acid Structure

3-(Trifluoromet...

CAS#:946-65-6

Literature: Journal of Organic Chemistry, , vol. 29, p. 895 - 898

 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%

 Articles1

More Articles
Trifluoromethylthiocopper. A reagent for the introduction of the trifluoromethylthio group into aromatic nuclei. Remy DC, et al.

J. Org. Chem. 41(9) , 1644-46, (1976)

 Synonyms

QVR CSXFFF
3-(Trifluoromethylthio)benzoic acid
3-(trifluoromethylsulfanyl)benzoic acid
MFCD00236337
Benzoic acid, 3-[(trifluoromethyl)thio]-
3-[(Trifluoromethyl)thio]benzoic acid
3-[(Trifluoromethyl)sulfanyl]benzoic acid