• USA Home
  • 424765 - 1,3,5-tris(trifluoromethyl)benzene

EMAIL THIS PAGE TO A FRIEND
424765 Sigma-Aldrich

1,3,5-tris(trifluoromethyl)benzene

97%

  • CAS Number 729-81-7

  • Linear Formula C6H3(CF3)3

  • Molecular Weight 282.11

  •  MDL number MFCD00054722

  •  PubChem Substance ID 24866589

  •  NACRES NA.22

Purchase

Properties

Related Categories Aryl, Building Blocks, C9 to C12, Chemical Synthesis, Halogenated Hydrocarbons,
Quality Level   100
assay   97%
refractive index   n20/D 1.359 (lit.)
bp   120 °C/750 mmHg (lit.)
density   1.514 g/mL at 25 °C (lit.)
SMILES string   FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI   1S/C9H3F9/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18/h1-3H
InChI key   ZMAUHKSOLPYPDB-UHFFFAOYSA-N

Description

General description

1,3,5-tris(trifluoromethyl)benzene is a tri-substituted benzene. It has been synthesized by reacting benzene-1,3,5-tricarboxylic acid with SF4. Reports suggest that 1,3,5-tris(trifluoromethyl)benzene is a nonanesthetics and shows convulsant properties. Its vapor absorption spectra and corresponding solution spectra has been investigated. Its reaction with methyl lithium has been analyzed using semiempirical reaction modelling.

Application

1,3,5-tris(trifluoromethyl)benzene was used as a starting material in the synthesis of bis(2,4,6-tris(trifluoromethyl)phenyl)chloropnictines.
It may be used as a starting material in the synthesis of 2,4,6-tris(trifluoromethyl)benzoic acid by reacting with n-butyllithium and carbon dioxide and in the synthesis of lithio derivative, via direct metalation with n-butyllithium.

Packaging

1, 5 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Warning
Hazard statements 
Precautionary statements 
Target organs 
Respiratory system
RIDADR 
UN 1993C 3 / PGIII
WGK Germany 
WGK 3
Flash Point(F) 
109.4 °F - closed cup
Flash Point(C) 
43 °C - closed cup

Meet Synthia - Retrosynthesis Sofware
Protocols & Articles
Peer-Reviewed Papers
15

References

Related Products

Technical Service:

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Bulk Ordering & Pricing:

Need larger quantities for your development, manufacturing or research applications?