3-(Trifluoromethyl)benzoic acid

Modify Date: 2024-01-02 11:40:46

3-(Trifluoromethyl)benzoic acid Structure
3-(Trifluoromethyl)benzoic acid structure
Common Name 3-(Trifluoromethyl)benzoic acid
CAS Number 454-92-2 Molecular Weight 190.119
Density 1.4±0.1 g/cm3 Boiling Point 237.7±0.0 °C at 760 mmHg
Molecular Formula C8H5F3O2 Melting Point 104-106 °C(lit.)
MSDS Chinese USA Flash Point 102.9±27.3 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 3-trifluoromethylbenzoic acid
Synonym More Synonyms

 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

 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-S24/25
RIDADR NONH for all modes of transport
WGK Germany 3
HS Code 29163900

 Synthetic Route

 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%

 Articles8

More Articles
The many roles for fluorine in medicinal chemistry.

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...

 Synonyms

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