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1,3,5-tris(trifluoromethyl)benzene

ALDRICH/424765 - 97%

CAS Number: 729-81-7
Empirical Formula (Hill Notation): C9H3F9
Molecular Weight: 282.11
MDL Number: MFCD00054722
Linear Formula: C6H3(CF3)3
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-424765-5G 5 g
 $130.00
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assay 97%
bp 120 °C/750 mmHg (lit.)
density 1.514 g/mL at 25 °C (lit.)
form liquid
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
refractive index n20/D 1.359 (lit.)
SMILES string FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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.
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.
Packaging: 1, 5 g in glass bottle
Purity 97%
bp 120 °C/750 mmHg (lit.)
Density 1.514 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.359 (lit.)
UNSPSC 12352100

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