328200
2,4,5-Trifluorobenzonitrile
99%
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About This Item
Linear Formula:
F3C6H2CN
CAS Number:
Molecular Weight:
157.09
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
99%
Form:
liquid
InChI
1S/C7H2F3N/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H
SMILES string
Fc1cc(F)c(cc1F)C#N
InChI key
DLKNOGQOOZFICZ-UHFFFAOYSA-N
assay
99%
form
liquid
refractive index
n20/D 1.4736 (lit.)
density
1.373 g/mL at 25 °C (lit.)
functional group
fluoro, nitrile
General description
Raman and FTIR spectra of 2,4,5- Trifluorobenzonitrile was studied. Highly regioselective substitution reaction of 2,4,5-trifluorobenzonitrile was reported.
Application
2,4,5-Trifluorobenzonitrile was used in preparation of novel linker in solid phase synthesis, 2-(2-fluoro-4-hydroxymethyl-5-methoxy-phenoxy)acetic acid.
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
181.4 °F - closed cup
flash_point_c
83 °C - closed cup
ppe
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Regulatory Information
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Regioselective nucleophilic substitutions of fluorobenzene derivatives
Wells KM, et al.
Tetrahedron Letters, 37(36), 6439-6442 (1996)
V Mukherjee et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 71(4), 1571-1580 (2008-08-12)
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 Raman lines has also been made. Optimized geometrical parameters, charge distributions and vibrational wavenumbers
Fredrik K Wallner et al.
Organic & biomolecular chemistry, 5(15), 2464-2471 (2007-07-20)
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 spectrometers. This paper describes the synthesis of the novel linker 2-(2-fluoro-4-hydroxymethyl-5-methoxy-phenoxy)acetic acid
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