2-(Trifluoromethyl)benzoic acid

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Names

[ CAS No. ]:
433-97-6

[ Name ]:
2-(Trifluoromethyl)benzoic acid

[Synonym ]:
Alpha,Alpha,Alpha-Trifluoro-o-Toluic Acid
MFCD00003482
2-(Trifluoromethyl)benzoic acid
2-Carboxybenzotrifluoride
EINECS 240-989-8
α,α,α-Trifluoro-o-toluic acid
QVR BXFFF
Benzoic acid, 2-(trifluoromethyl)-
2-(Trifluoromethyl)benzoicacid

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
243.7±40.0 °C at 760 mmHg

[ Melting Point ]:
110-112ºC

[ Molecular Formula ]:
C8H5F3O2

[ Molecular Weight ]:
190.119

[ Flash Point ]:
101.2±27.3 °C

[ Exact Mass ]:
190.024170

[ PSA ]:
37.30000

[ LogP ]:
2.87

[ 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

[ RIDADR ]:
UN 1549 6.1/PG 3

[ WGK Germany ]:
2

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-(Trifluoromethyl)benzaldehyde
  • carbon monoxide
  • 2-Bromobenzotrifluoride
  • 2-Chlorobenzotrifluoride
  • BUTYLDIPHENYLPHOSPHINE
  • Carbon dioxide
  • Methanol
  • Benzotrifluoride
  • (2-(Trifluoromethyl)phenyl)methanol

DownStream

  • 2-Methyl-6-trifluoromethylbenzoic acid
  • 1-(Bromomethyl)-2-(trifluoromethyl)benzene
  • 4-Bromo-2-(trifluoromethyl)benzoic acid
  • 2-(Trifluoromethyl)benzoyl chloride
  • 2-(Trifluoromethyl)benzamide
  • 4-Nitro-2-(trifluoromethyl)benzoic acid
  • (2-(Trifluoromethyl)phenyl)methanol
  • Methyl 2-(trifluoromethyl)benzoate
  • 2-Bromobenzotrifluoride
  • 4-Nitrophenol

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

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)

Synthesis, characterization and biological activity of some new 1,3,4-oxadiazole bearing 2-flouro-4-methoxy phenyl moiety.

Eur. J. Med. Chem. 45(3) , 1206-10, (2010)

In the present study a series of new 1,3,4-oxadiazole derivatives containing 2-fluoro-4-methoxy moiety were synthesized. These newly synthesized compounds were characterized by NMR, mass spectral, IR ...

Use of 19F NMR spectroscopy to screen chemical libraries for ligands that bind to proteins.

Org. Biomol. Chem. 2(5) , 725-31, (2004)

Identification of compounds from chemical libraries that bind to macromolecules by use of NMR spectroscopy has gained increasing importance during recent years. A simple methodology based on (19)F NMR...


More Articles

Related Compounds

  • 4-Iodo-2-(trifluoromethyl)benzoic acid
  • 5-iodo-2-(trifluoromethyl)benzoic acid
  • 4-Nitro-2-(trifluoromethyl)benzoic acid
  • 5-Cyano-2-(trifluoromethyl)benzoic acid
  • 4-Amino-2-(trifluoromethyl)benzoic acid
  • 3-bromo-2-(trifluoromethyl)benzoic acid