2,4,5-Trifluorobenzonitrile

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
180.5±35.0 °C at 760 mmHg

[ Melting Point ]:
168-170ºC

[ Molecular Formula ]:
C₇H₂F₃N

[ Molecular Weight ]:
157.093

[ Flash Point ]:
83.3±0.0 °C

[ Exact Mass ]:
157.013931

[ PSA ]:
23.79000

[ LogP ]:
1.38

[ Vapour Pressure ]:
0.9±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.464

Click to get detail MSDS

[ Personal Protective Equipment ]:
Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S36/37/39-S26

[ RIDADR ]:
3276

[ WGK Germany ]:
3

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Click to get detail synthetic route

Precursor

DownStream

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Quantum chemical determination of molecular geometries and interpretation of FTIR and Raman spectra for 2,4,5- and 3,4,5-tri-fluoro-benzonitriles.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 71(4) , 1571-80, (2008)

Raman and FTIR spectra of 2,4,5- and 3,4,5-tri-fluoro-benzonitriles have been recorded in the regions 50-4000 cm(-1) and 400-4000 cm(-1), respectively. Measurement of depolarization ratios for the Ram...

Synthesis and evaluation of 2-(2-fluoro-4-hydroxymethyl-5-methoxy-phenoxy)acetic acid as a linker in solid-phase synthesis monitored by gel-phase (19)F NMR spectroscopy.

Org. Biomol. Chem. 5(15) , 2464-71, (2007)

Gel-phase (19)F NMR spectroscopy is a useful monitoring technique for solid-phase organic chemistry due to the high information content it delivers and swift acquisition times, using standard NMR spec...

Regioselective nucleophilic substitutions of fluorobenzene derivatives Wells KM, et al.

Tetrahedron Lett. 37(36) , 6439-42, (1996)

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