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CAS Number: 18203-70-8
4-bromo-1-chloro-5-nitroisoquinoline

Structure

 4-bromo-1-chloro-5-nitroisoquinoline
Name: 4-bromo-1-chloro-5-nitroisoquinoline
Synonyms:
General Information
Product Number: 18203708

CAS Registry Number 18203-70-8
Name:
Isoquinoline, 4-?bromo-?1-?chloro-?5-?nitro-
4-Bromo-1-chloro-5-nitroisoquinoline

 

Chemical Formula: C9H4BrClN2O2
Exact Mass: 285.91
Molecular Weight: 287.50
m/z: 287.91 (100.0%), 285.91 (77.3%), 289.91 (24.1%), 286.92 (7.6%), 288.92 (7.5%), 288.91 (3.1%), 290.91 (2.5%)

 

InChI:InChI=1S/C9H4BrClN2O2/c10-6-4-12-9(11)5-2-1-3-7(8(5)6)13(14)15/h1-4H

InChI Key:ODNWMKOLHPHFAM-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 166-167 °C Solv: methanol (67-56-1) (2)CAS
Melting Point 164-166 °C   (1)CAS

Specification

98%
References
  1. (1) Sunderland, Peter T.; Organic & Biomolecular Chemistry 2011, V9(3), P881-891 CAPLUS
  2. (2) Nair, Mohann D.; Indian Journal of Chemistry 1967, V5(9), P403-8 CAPLUS
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