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CAS Number: 1532-97-4
4-bromoisoquinoline

Structure

4-bromoisoquinoline
Name: 4-bromoisoquinoline
Synonyms:
General Information
Product Number: 1532974

CAS Registry Number 1532-97-4
Name:
Isoquinoline, 4-​bromo-
4-Bromoisoquinoline
4-Isoquinolinyl bromide
NSC 56333

 

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/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H

InChI Key:SCRBSGZBTHKAHU-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C=NC=C2Br

 

Thermal Properties Value Condition Note
Boiling Point 282.5 °C   (1)SRC
Boiling Point 149 °C Press: 13 Torr (2)CAS
Melting Point 179 °C   (9)CAS
Melting Point 41.5 °C   (1)SRC
Melting Point 40 °C Solv: ligroine (8032-32-4) (10)IC
Melting Point 39-40 °C   (11)CAS

Specification

98%

References
  1. (1) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  2. (2) Hinton, I. G.; Journal of the Chemical Society 1959, P599-610 CAPLUS
  3. (9) Ueda, Kozo; Yakugaku Zasshi 1940, V60, P536-7(German abstr. 210) CAPLUS
  4. (10) Katritzky, Alan R.; Journal of Chemical Research, Synopses 1981, (3), P70-1 CAPLUS
  5. (11) Bergstrom, F. W.; Journal of the American Chemical Society 1940, V62, P3030-2 CAPLUS
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