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CAS Number: 33252-28-7
6-chloronicotinonitrile

Structure

6-chloronicotinonitrile
Name: 6-chloronicotinonitrile
Synonyms:
General Information
Product Number: 33252287

CAS Registry Number 33252-28-7
Name:
3-?Pyridinecarbonitrile?, 6-?chloro-
Nicotinonitrile, 6-chloro- (8CI)
6-Chloro-3-pyridinecarbonitrile
2-Chloro-5-cyanopyridine
2-Chloro-5-pyridinecarbonitrile
5-Cyano-2-chloropyridine

 

Chemical Formula: C6H3ClN2
Exact Mass: 138.00
Molecular Weight: 138.55
m/z: 138.00 (100.0%), 140.00 (32.0%), 139.00 (7.3%), 141.00 (2.1%)

 

InChI:InChI=1S/C6H3ClN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H

InChI Key:ORIQLMBUPMABDV-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=NC=C1C#N)Cl

 

Thermal Properties Value Condition Note
Melting Point 117-118 °C   (6)CAS
Melting Point 117-118 °C   (7)CAS
Melting Point 117-118 °C Solv: ethanol (64-17-5) (8)CAS
Melting Point 115-116 °C   (9)IC
Melting Point 115 °C   (10)CAS

Specification

98%

References
  1. (6) Forrest, H. S.; Journal of the Chemical Society 1948, P1939-45 CAPLUS
  2. (7) Ramachandran, Uma; Bioorganic & Medicinal Chemistry 2004, V12(4), P655-662 CAPLUS
  3. (8) Gao, Ying; Chinese Journal of Chemistry 2006, V24(4), P521-526 CAPLUS
  4. (9) Yamanaka, Hiroshi; Chemical & Pharmaceutical Bulletin 1988, V36(6), P2244-7 CAPLUS
  5. (10) Rath, C.; Justus Liebigs Annalen der Chemie 1931, V487, P127-34 CAPLUS
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