3-(Trifluoromethyl)benzoic acid
Names
[ CAS No. ]:
454-92-2
[ Name ]:
3-(Trifluoromethyl)benzoic acid
[Synonym ]:
3-trifluoromethylbenzoicacid
MFCD00002519
m-(Trifluoromethyl)benzoic acid
QVR CXFFF
α,α,α-Trifluoro-m-toluic acid
m-CARBOXYBENZOTRIFLUORIDE
EINECS 207-230-2
3-Carboxybenzotrifluoride
a,a,a-trifluoro-m-toluic acid
Benzoic acid, 3-(trifluoromethyl)-
m-Toluic acid, α,α,α-trifluoro-
m-Trifluoromethylbenzoic acid
3-(Trifluoromethyl)benzoic acid
Chemical & Physical Properties
[ Density]:
1.4±0.1 g/cm3
[ Boiling Point ]:
237.7±0.0 °C at 760 mmHg
[ Melting Point ]:
104-106 °C(lit.)
[ Molecular Formula ]:
C8H5F3O2
[ Molecular Weight ]:
190.119
[ Flash Point ]:
102.9±27.3 °C
[ Exact Mass ]:
190.024170
[ PSA ]:
37.30000
[ LogP ]:
2.95
[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C
[ Index of Refraction ]:
1.475
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-S24/25
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
3
[ HS Code ]:
29163900
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2916399090
[ Summary ]:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Articles
J. Med. Chem. 51 , 4359-69, (2008)
Studies on the metabolism of fluorinated xenobiotics in the rat using 19F-NMR and 1H-NMR spectroscopy.
J. Pharm. Biomed. Anal. 8(8-12) , 939-44, (1990)
Bacterial metabolism of side chain fluorinated aromatics: cometabolism of 3-trifluoromethyl(TFM)-benzoate by Pseudomonas putida (arvilla) mt-2 and Rhodococcus rubropertinctus N657.
Arch. Microbiol. 149(3) , 188-97, (1988)
The TOL plasmid-encoded enzymes of the methylbenzoate pathway in Pseudomonas putida mt-2 cometabolized 3-trifluoromethyl (TFM)-benzoate. Two products, 3-TFM-1,2-dihydroxy-2-hydrobenzoate (3-TFM-DHB) a...