2,3,6-TRIFLUOROBENZOIC ACID

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Names

[ CAS No. ]:
2358-29-4

[ Name ]:
2,3,6-TRIFLUOROBENZOIC ACID

[Synonym ]:
2,5,6-Trifluorobenzoic acid
MFCD00002409
2,3,6-Trifluorobenzoic acid
2,3,6-trifluoro benzoic acid
2,3,4-TRI-O-BENZOYL-A-D-GLUCURONIC ACID METHYL ESTER,TRICHLOROACETIMIDATE
4,5-H2-C6F3COOH
Benzoic acid, 2,3,6-trifluoro-
2,3,6-Trifluor-benzoesaeure
QVR BF CF FF

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
233.5±35.0 °C at 760 mmHg

[ Melting Point ]:
130-131 °C(lit.)

[ Molecular Formula ]:
C7H3F3O2

[ Molecular Weight ]:
176.093

[ Flash Point ]:
95.0±25.9 °C

[ Exact Mass ]:
176.008514

[ PSA ]:
37.30000

[ LogP ]:
2.10

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.491

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-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Carbon dioxide
  • 1,2,4-Trifluorobenzene
  • 2,3,6-Trifluorobenzonitrile
  • 1,2,3,5-Tetrafluorobenzene
  • 2,3,4,6-Tetrafluorobenzoic acid
  • 2,3,5,6-tetrafluoro-4-hydrazinobenzotrifluoride
  • 1-Bromo-2,4,5-trifluorobenzene

DownStream

  • 3-Fluorobenzoic acid
  • benzoic acid
  • 2,5-Difluorobenzoic acid
  • 1,2,4-Trifluorobenzene
  • 2,3,6-Trifluorobenzylalcohol

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

FTIR and Raman spectra and optimized geometry of 2,3,6-tri-fluorobenzoic acid dimer: a DFT and SQMFF study.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 77(4) , 787-94, (2010)

Raman and FTIR spectra of the 2,3,6-tri-fluorobenzoic acid molecule have been recorded in the regions 50-4000cm⁻¹ and 400-4000cm⁻¹, respectively. Vibrational frequencies have been calculated by employ...


More Articles

Related Compounds

  • 4-azido-2,3,5-trifluorobenzoic acid
  • 2,4,6-Trifluorobenzoyl chloride
  • [1,1'-Biphenyl]-4,4'-dicarboxylicacid, 2,2',3,3',6,6'-hexafluoro-
  • 2,3,4-Trifluorobenzoic acid
  • 3-(2,3,6-Trifluorophenyl)acrylic acid
  • 2,3,6-Trichlorobenzoic acid
  • 2-(Propan-2-yl)furan-3-carboxylic acid
  • 1-(4-Chloro-5-fluoro-2-methoxyphenyl)ethan-1-one
  • 4-(Allyloxy)pent-1-ene
  • Methyl 7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate
  • (S)-3-((Benzyloxy)carbonyl)thiazolidine-4-carboxylic acid
  • 4-(Benzyloxy)-7-bromo-1H-indole-3-carbaldehyde
  • 4-[3-(Methylsulfanyl)phenyl]butanoic acid
  • 6-ethyl-1,3-dimethyl-5-((3-nitrobenzyl)thio)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
  • 6-Chloro-3,3-dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one
  • 6-Amino-1-(2-methylpropyl)-5-nitrosopyrimidine-2,4-dione
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