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CAS Number: 118289-17-1
2-bromoisonicotinaldehyde

Structure

2-bromoisonicotinaldehyde
Name: 2-bromoisonicotinaldehyde
Synonyms:
General Information
Product Number: 118289171
CAS Registry Number: 118289-17-1
Name:
4-​Pyridinecarboxaldehy​de, 2-​bromo-
2-​Bromo-​4-​formylpyridine; 2-​Bromo-​4-​pyridinecarboxaldehy​de; 2-​Bromoisonicotinaldeh​yde 
 
Chemical Formula: C6H4BrNO
Exact Mass: 184.95
Molecular Weight: 186.01
m/z: 184.95 (100.0%), 186.95 (97.7%), 185.95 (6.6%), 187.95 (6.4%)
Elemental Analysis: C, 38.74; H, 2.17; Br, 42.96; N, 7.53; O, 8.60
 
InChI: InChI=1S/C6H4BrNO/c7-6-3-5(4-9)1-2-8-6/h1-4H
InChIKey: RTWLIQFKXMWEJY-UHFFFAOYSA-N
Canonical SMILES : C1=CN=C(C=C1C=O)Br
 
Thermal Properties Value Condition Note
Melting Point 52.6-53.5 °C   (2)IC
Melting Point See full text   (1)CAS

Specification

98%

References
  1. (1) Mandal, Ashis Baran; Tetrahedron Letters 2005, V46(36), P6033-6036 CAPLUS
  2. (2) Hirakawa, Nobuhiko; EP 282077 A2 1988 CAPLUS
  3. (3) Ashimori, Atsuyuki; Chemical & Pharmaceutical Bulletin 1990, V38(9), P2446-58 CAPLUS
  4. (4) Thaler, Florian; Journal of Medicinal Chemistry 2010, V53(2), P822-839 CAPLUS
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