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172901 Sigma-Aldrich

3-(Trifluoromethyl)benzonitrile

99%

Synonym: α,α,α-Trifluoro-m-tolunitrile, 3-Cyanobenzotrifluoride

  • CAS Number 368-77-4

  • Linear Formula CF3C6H4CN

  • Molecular Weight 171.12

  •  Beilstein/REAXYS Number 1868102

  •  EC Number 206-711-4

  •  MDL number MFCD00001807

  •  PubChem Substance ID 24850426

  •  NACRES NA.22

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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 1.4575 (lit.)
bp   189 °C (lit.)
mp   16-20 °C (lit.)
density   1.281 g/mL at 25 °C (lit.)
SMILES string   FC(F)(F)c1cccc(c1)C#N
InChI   1S/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H
InChI key   OGOBINRVCUWLGN-UHFFFAOYSA-N

Description

Application

3-(Trifluoromethyl)benzonitrile (α, α, α -trifluoro-m-tolunitrile) was used as a reference compound in the determination of the electron affinity of 1,3,5,7-cyclooctatetraene (COT).

Packaging

25 g in glass bottle

Safety & Documentation

Safety Information

RIDADR 
NONH for all modes of transport
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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