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CAS Number: 58142-97-5
1-chloro-5-nitroisoquinoline

Structure

 1-chloro-5-nitroisoquinoline
Name: 1-chloro-5-nitroisoquinoline
Synonyms:
General Information
Product Number: 58142975

CAS Registry Number 58142-97-5
Name:
Isoquinoline, 1-?chloro-?5-?nitro-
1-Chloro-5-nitroisoquinoline

 

Chemical Formula: C9H5ClN2O2
Exact Mass: 208.00
Molecular Weight: 208.60
m/z: 208.00 (100.0%), 210.00 (32.0%), 209.01 (9.9%), 211.00 (3.3%)

 

InChI:InChI=1S/C9H5ClN2O2/c10-9-7-2-1-3-8(12(13)14)6(7)4-5-11-9/h1-5H

InChI Key:ABMIIJPKPFSMLK-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=CN=C2Cl)C(=C1)[N+](=O)[O-]

 

Thermal Properties Value Condition Note
Melting Point 187 °C   (1)CAS
Melting Point 183-184 °C   (2)CAS
Melting Point 181-183 °C Solv: hexane (110-54-3); ethyl acetate (141-78-6) (3)CAS

Specification

98%
References
  1. (1) Robinson, Richard A.; Journal of the American Chemical Society 1947, V69, P1939-42 CAPLUS
  2. (2) Anderson, Elvin L.; Journal of the American Pharmaceutical Association, Scientific Edition 1952, V41, P643-50 CAPLUS
  3. (3) Sunderland, Peter T.; Journal of Medicinal Chemistry 2011, V54(7), P2049-2059 CAPLUS
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