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4-Iodobenzotrifluoride

ALDRICH/365858 - 97%

Synonym: 4-Iodo-α,α,α-trifluorotoluene

CAS Number: 455-13-0
Empirical Formula (Hill Notation): C7H4F3I
Molecular Weight: 272.01
EC Number: 207-234-4
MDL Number: MFCD00039398
Linear Formula: IC6H4CF3
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-365858-1G 1 g
 $37.50
1/EA		 Add To Favorites
45-365858-5G 5 g
 $94.90
1/EA		 Add To Favorites

 

assay 97%
bp 185-186 °C/745 mmHg (lit.)
density 1.851 g/mL at 25 °C (lit.)
form liquid
functional group fluoro
  iodo
InChI 1S/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H
InChI key SKGRFPGOGCHDPC-UHFFFAOYSA-N
mp −8.33 °C (lit.)
Quality Level 100 
refractive index n20/D 1.516 (lit.)
SMILES string FC(F)(F)c1ccc(I)cc1
Application: 4-Iodobenzotrifluoride may be employed as substrate with electron-deficient aromatic ring, during Mizoroki-Heck reaction with acrylic acid, to afford 4-trifluoromethylcinnnamic acid.
General description: 4-Iodobenzotrifluoride undergoes aminocarbonylation in DMF using phosphoryl chloride to give N,N-dimethyl-(4-trifluoromethyl)benzamide. Mechanism of the copper-free Sonogashira cross-coupling reaction of 4-iodobenzotrifluoride with differently para-substituted phenylacetylenes has been investigated.
Packaging: 1, 5 g in glass bottle
Purity 97%
bp 185-186 °C/745 mmHg (lit.)
mp −8.33 °C (lit.)
Density 1.851 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.516 (lit.)
UNSPSC 12352100

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