3-(Trifluoromethyl)benzoic acid

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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

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-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ HS Code ]:
29163900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-(Trifluoromethyl)benzaldehyde
  • 3-Bromobenzotrifluoride
  • carbon monoxide
  • Methanol
  • Carbon dioxide
  • m-iodobenzotrifluoride
  • Methyl 3-(trifluoromethyl)benzoate
  • 5,5-dimethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborinane
  • 3-Chlorobenzotrifluoride

DownStream

  • Benzoyl fluoride,3-(trifluoromethyl)-
  • [3-(Trifluoromethyl)phenyl]methanol
  • 3-(Trifluoromethyl)phenylacetic acid
  • 3-Bromo-5-trifluoromethyl-benzoic acid
  • 3′-(Trifluoromethyl)acetophenone
  • 3-(Trifluoromethyl)benzonitrile
  • N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide
  • 3-Nitro-5-(trifluoromethyl)benzoic acid
  • Methyl 3-(trifluoromethyl)benzoate
  • 2-Hydroxy-5-(trifluoromethyl)benzoic acid

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

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...


More Articles

Related Compounds

  • 2-Iodo-3-(trifluoromethyl)benzoic acid
  • 4-Iodo-3-(trifluoromethyl)benzoic acid
  • 4-Amino-3-(trifluoromethyl)benzoic acid
  • 4-Nitro-3-(trifluoromethyl)benzoic acid
  • 2-nitro-3-(trifluoromethyl)benzoic acid
  • 4-Bromo-3-(trifluoromethyl)benzoic acid
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4-(Chloromethyl)-2,3-difluorobenzoic acid
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 1-tert-Butyl-4,6-dichloro-1H-pyrazolo[3,4-b]pyridine