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2,3,6-TRIFLUOROBENZOIC ACID

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

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

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

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

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