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CAS Number: 95104-21-5
2-chloroquinoline-3-carbonitrile

Structure

2-chloroquinoline-3-carbonitrile
Name: 2-chloroquinoline-3-carbonitrile
Synonyms:
General Information
Product Number: 95104215

CAS Registry Number 95104-21-5
Name:
3-​Quinolinecarbonitril​e, 2-​chloro-
2-Chloro-3-quinolinecarbonitrile

 

Chemical Formula: C10H5ClN2
Exact Mass: 188.01
Molecular Weight: 188.61
m/z: 188.01 (100.0%), 190.01 (32.0%), 189.02 (10.9%), 191.01 (3.7%)

 

InChI:InChI=1S/C10H5ClN2/c11-10-8(6-12)5-7-3-1-2-4-9(7)13-10/h1-5H

InChI Key:UGTRDMPALMEDBU-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C=C(C(=N2)Cl)C#N

 

Thermal Properties Value Condition Note
Melting Point 166.5 °C   (5)CAS
Melting Point 163-164 °C   (6)IC
Melting Point 162 °C Solv: ethanol (64-17-5) (7)CAS
Melting Point 144-145 °C   (3)CAS
Melting Point See full text   (4)CAS

Specification

98%

References
  1. (3) Upadhyay, Shraddha; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 2009, V48B(1), P152-154 CAPLUS
  2. (4) Srivastava, Ambika; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 2005, V44B(9), P1868-1875 CAPLUS
  3. (5) Wojahn, Hans; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft 1938, V276, P291-302 CAPLUS
  4. (6) Bell, Malcolm R.; US 4920128 A 1990 CAPLUS
  5. (7) Srivastava, Ambika; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 2006, V45B(1), P292-296 CAPLUS
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