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CAS Number: 58794-09-5
7-bromoisoquinoline

Structure

 7-bromoisoquinoline
Name: 7-bromoisoquinoline
Synonyms:
General Information
Product Number: 58794095

CAS Registry Number 58794-09-5
Name:
Isoquinoline, 7-?bromo-
7-Bromoisoquinoline

 

Chemical Formula: C9H6BrN
Exact Mass: 206.97
Molecular Weight: 208.05
m/z: 206.97 (100.0%), 208.97 (97.3%), 207.97 (10.2%), 209.97 (9.5%)

 

InChI:InChI=1S/C9H6BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-6H

InChI Key:KABRXLINDSPGDF-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC2=C1C=CN=C2)Br

 

Thermal Properties Value Condition Note
Melting Point 174-178 °C   (2)CAS
Melting Point 71.3-72.0 °C   (1)CAS
Melting Point 67-69 °C   (3)IC

Specification

98%
References
  1. (1) Pan, Jun; Organic Letters 2011, V13(18), P4974-4976 CAPLUS
  2. (2) Shi, Jun; Journal of the American Chemical Society 2011, V133(20), P8014-8027 CAPLUS
  3. (3) Miller, R. Bryan; Journal of Organic Chemistry 1980, V45(26), P5312-15 CAPLUS
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