3-(Trifluoromethylthio)benzoic acid

Names

[ CAS No. ]:
946-65-6

[ Name ]:
3-(Trifluoromethylthio)benzoic acid

[Synonym ]:
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

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

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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%

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)