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CAS Number: 63927-23-1
5-bromo-8-nitroisoquinoline

Structure

 5-bromo-8-nitroisoquinoline
Name: 5-bromo-8-nitroisoquinoline
Synonyms:
General Information
Product Number: 63927231

CAS Registry Number 63927-23-1
Name:
Isoquinoline, 5-?bromo-?8-?nitro-
5-Bromo-8-nitroisoquinoline

 

Chemical Formula: C9H5BrN2O2
Exact Mass: 251.95
Molecular Weight: 253.05
m/z: 251.95 (100.0%), 253.95 (97.4%), 254.95 (10.2%), 252.96 (9.9%)

 

InChI:InChI=1S/C9H5BrN2O2/c10-8-1-2-9(12(13)14)7-5-11-4-3-6(7)8/h1-5H

InChI Key:ULGOLOXWHJEZNZ-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C2C=CN=CC2=C1[N+](=O)[O-])Br

 

Thermal Properties Value Condition Note
Melting Point 139-141 °C Solv: dichloromethane (75-09-2); ethyl ether (60-29-7) (1)CAS
Melting Point 138-139 °C   (2)IC
Melting Point 137-139 °C   (1)CAS
Melting Point See full text   (5)CAS

Specification

98%
References
  1. (1) Brown, William Dalby; Organic Syntheses 2005, V81, P98-104 CAPLUS
  2. (2) Rey, Max; Helvetica Chimica Acta 1985, V68(7), P1828-34 CAPLUS
  3. (5) Osborn, A. R.; Journal of the Chemical Society 1956, P4191-206 CAPLUS
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