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196681 Sigma-Aldrich

4-(Trifluoromethyl)benzonitrile

99%

Synonym: α,α,α-Trifluoro-p-tolunitrile

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Properties

Related Categories Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds - Organic Building Blocks,
Quality Level   100
assay   99%
refractive index   n20/D 1.4583 (lit.)
bp   80-81 °C/20 mmHg (lit.)
mp   39-41 °C (lit.)
density   1.278 g/mL at 25 °C (lit.)
SMILES string   FC(F)(F)c1ccc(cc1)C#N
InChI   1S/C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H
InChI key   DRNJIKRLQJRKMM-UHFFFAOYSA-N

Description

General description

4-(Trifluoromethyl)benzonitrile is a key intermediate in the synthesis of fluvoxamine. It participates in nickel-catalyzed arylcyanation reaction of 4-octyne.

Packaging

5, 25 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Personal Protective Equipment 
RIDADR 
UN1325 - class 4.1 - PG 2 - Flammable solids, organic, n.o.s., HI: all
WGK Germany 
WGK 3
Flash Point(F) 
161.6 °F - closed cup
Flash Point(C) 
72 °C - closed cup

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Protocols & Articles
Peer-Reviewed Papers
15

References

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