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CAS Number: 312325-72-7
2-(5-bromopyridin-2-yl)acetonitrile

Structure

2-(5-bromopyridin-2-yl)acetonitrile
Name: 2-(5-bromopyridin-2-yl)acetonitrile
Synonyms:
General Information
Product Number: 312325727

CAS Registry Number 312325-72-7
Name:
2-​Pyridineacetonitrile​, 5-​bromo-
(5-Bromopyridin-2-yl)acetonitrile
2-(5-Bromopyridin-2-yl)acetonitrile
5-Bromopyridine-2-acetonitrile

 

Chemical Formula: C7H5BrN2
Exact Mass: 195.96
Molecular Weight: 197.03
m/z: 195.96 (100.0%), 197.96 (97.3%), 198.96 (8.1%), 196.97 (7.6%)

 

InChI:InChI=1S/C7H5BrN2/c8-6-1-2-7(3-4-9)10-5-6/h1-2,5H,3H2

InChI Key:DPZHKLJPVMYFCU-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=NC=C1Br)CC#N

 

Thermal Properties Value Condition Note
Melting Point 29 °C   (1)CAS

Specification

98%

References
  1. (1) Komine, Takashi; Journal of Medicinal Chemistry 2008, V51(20), P6558-6562 CAPLUS
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