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3-(Trifluoromethyl)phenyl isocyanate

ALDRICH/159387 - 97%

Synonym: α,α,α-Trifluoro-m-tolyl isocyanate

CAS Number: 329-01-1
Empirical Formula (Hill Notation): C8H4F3NO
Molecular Weight: 187.12
EC Number: 206-341-3
MDL Number: MFCD00002020
Linear Formula: CF3C6H4NCO
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-159387-5G 5 g
 $49.90
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assay 97%
bp 54 °C/11 mmHg (lit.)
density 1.359 g/mL at 25 °C (lit.)
functional group fluoro
  isocyanate
InChI 1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H
InChI key SXJYSIBLFGQAND-UHFFFAOYSA-N
Quality Level 100 
refractive index n20/D 1.467 (lit.)
SMILES string FC(F)(F)c1cccc(c1)N=C=O
storage temp. 2-8°C
vapor pressure 2.44 psi ( 20 °C)
Application: 3-(Trifluoromethyl)phenyl isocyanate (α,α,α-Trifluoro-m-tolyl isocyanate) was used in the preparation of (S)-3-hydroxymethyl-2-methoxymethoxy-2′-(3-(3-(trifluoromethyl)phenyl)uryl-benzyl)-1,1′-binaphthalene. It was also used in the preparation of cholesteryl trifluoromethylphenyl carbamate.
Packaging: 5, 25 g in glass bottle
Purity 97%
bp 54 °C/11 mmHg (lit.)
Density 1.359 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.467 (lit.)
Storage Temp. 2-8°C
UNSPSC 12352100

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