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CAS Number: 114897-91-5
2-(4-bromo-2-fluorophenyl)acetonitrile

Structure

2-(4-bromo-2-fluorophenyl)acetonitrile
Name: 2-(4-bromo-2-fluorophenyl)acetonitrile
Synonyms:
General Information
Product Number: 114897915
CAS Registry Number:
114897-91-5
Name:
Benzeneacetonitrile, 4-bromo-2-fluoro-
(4-Bromo-2-fluorophenyl)acetonitrile; 2-(4-Bromo-2-fluorophenyl)acetonitrile; 4-Bromo-2-fluorobenzeneacetonitrile; 4-Bromo-2-fluorobenzyl cyanide 
 
Chemical Formula: C8H5BrFN
Exact Mass: 212.96
Molecular Weight: 214.03
m/z: 212.96 (100.0%), 214.96 (97.3%), 213.96 (9.0%), 215.96 (8.5%)
Elemental Analysis: C, 44.89; H, 2.35; Br, 37.33; F, 8.88; N, 6.54
 
InChI: InChI=1S/C8H5BrFN/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2
InChIKey: QLASQEZPJFNZQC-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1Br)F)CC#N

Specification

98%

References
  1. (1) Camp, David; Organic Process Research & Development 2006, V10(4), P814-821 CAPLUS
  2. (2) Alessi, Thomas R.; US 4895862 A 1990 CAPLUS
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