232947
2-(Trifluoromethyl)benzonitrile
98%
Synonym(s):
α,α,α-Trifluoro-o-tolunitrile
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About This Item
Linear Formula:
CF3C6H4CN
CAS Number:
Molecular Weight:
171.12
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
Recommended Products
Assay
98%
refractive index
n20/D 1.4632 (lit.)
mp
7.5 °C (lit.)
density
1.294 g/mL at 25 °C (lit.)
SMILES string
FC(F)(F)c1ccccc1C#N
InChI
1S/C8H4F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H
InChI key
SOZGHDCEWOLLHV-UHFFFAOYSA-N
General description
2-(Trifluoromethyl)benzonitrile reacts with tert-butyl acetate in the presence of sulfuric acid to give the corresponding N-tert-butyl amides.
Application
2-(Trifluoromethyl)benzonitrile was used in the synthesis of symmetrical N,N′-alkylidine bisamides.
Signal Word
Warning
Hazard Statements
Hazard Classifications
Acute Tox. 4 Oral
Storage Class Code
6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects
WGK
WGK 2
Flash Point(F)
194.0 °F - closed cup
Flash Point(C)
90 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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A convenient and efficient protocol for the synthesis of symmetrical N,N'-alkylidine bisamides by sulfamic acid under solvent-free conditions.
Selvam NP, et al.
Canadian Journal of Chemistry, 86(1), 32-38 (2008)
An efficient method for the conversion of aromatic and aliphatic nitriles to the corresponding N-tert-butyl amides: a modified Ritter reaction.
Reddy KL.
Tetrahedron Letters, 44(7), 1453-1455 (2003)
Megumi Morimoto et al.
PloS one, 12(12), e0189480-e0189480 (2017-12-08)
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