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CAS Number: 39891-09-3
2-(6-chloropyridin-3-yl)acetonitrile

Structure

2-(6-chloropyridin-3-yl)acetonitrile
Name: 2-(6-chloropyridin-3-yl)acetonitrile
Synonyms:
General Information
Product Number: 39891093

CAS Registry Number 39891-09-3
Name:
3-​Pyridineacetonitrile​, 6-​chloro-
(6-Chloro-3-pyridinyl)acetonitrile
2-(6-Chloro-3-pyridinyl)acetonitrile
6-Chloro-3-pyridineacetonitrile
6-Chloro-3-pyridylacetonitrile

 

Chemical Formula: C7H5ClN2
Exact Mass: 152.01
Molecular Weight: 152.58
m/z: 152.01 (100.0%), 154.01 (32.0%), 153.02 (7.6%), 155.01 (2.7%)

 

InChI:InChI=1S/C7H5ClN2/c8-7-2-1-6(3-4-9)5-10-7/h1-2,5H,3H2

InChI Key:BLGUCBUETMYJTB-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=NC=C1CC#N)Cl

 

Thermal Properties Value Condition Note
Boiling Point 182 °C Press: 1 Torr (1)CAS
Melting Point 52-54 °C   (2)CAS
Melting Point 51-52 °C   (3)CAS
Melting Point 48-50 °C   (3)CAS

Specification

98%

References
  1. (1) Holla, B. Shivarama; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 2004, V43B(4), P864-868 CAPLUS
  2. (2) Yu, Gang; Bioorganic & Medicinal Chemistry Letters 2010, V20(7), P2168-2173 CAPLUS
  3. (3) Okuda, Shigenobu; Journal of the American Chemical Society 1959, V81, P740-3 CAPLUS
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