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CAS Number: 34784-04-8
5-bromoisoquinoline

Structure

5-bromoisoquinoline
Name: 5-bromoisoquinoline
Synonyms:
General Information
Product Number: 34784048

CAS Registry Number 34784-04-8
Name:
Isoquinoline, 5-​bromo-
5-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/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H

InChI Key:CYJZJGYYTFQQBY-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=CN=C2)C(=C1)Br

 

Thermal Properties Value Condition Note
Melting Point 143-145 °C   (5)CAS
Melting Point 82-84 °C   (6)IC
Melting Point 82-83 °C Solv: hexane (110-54-3) (3)IC
Melting Point 82 °C   (7)IC
Melting Point 81-82 °C   (2)CAS
Melting Point 80-81 °C   (1)CAS
Melting Point 80-81 °C Solv: pentane (109-66-0) (8)CAS
Melting Point See full text   (9)CAS

Specification

98%

References
  1. (1) Fernandes, Prabhavathi B.; WO 2005062894 A2 2005 CAPLUS
  2. (2) Brown, William Dalby; Organic Syntheses 2005, V81, P98-104 CAPLUS
  3. (3) Rey, Max; Helvetica Chimica Acta 1985, V68(7), P1828-34 CAPLUS
  4. (5) Sit, Sing-Yuen; Bioorganic & Medicinal Chemistry 2004, V12(4), P715-734 CAPLUS
  5. (6) Mathison, Ian W.; Journal of Organic Chemistry 1974, V39(22), P3210-5 CAPLUS
  6. (7) Poradowska, H.; Synthesis 1975, (11), P733 CAPLUS
  7. (8) Sit, Sing-Yuen; Journal of Medicinal Chemistry 2002, V45(17), P3660-3668 CAPLUS
  8. (9) Osborn, A. R.; Journal of the Chemical Society 1956, P4191-206 CAPLUS
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