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CAS Number: 115666-21-2
7-bromo-1H-indole-3-carbaldehyde

Structure

 7-bromo-1H-indole-3-carbaldehyde
Name: 7-bromo-1H-indole-3-carbaldehyde
Synonyms:
General Information
Product Number: 115666212

CAS Registry Number 115666-21-2
Name:
1H-?Indole-?3-?carboxaldehyde, 7-?bromo-
7-Bromo-3-indolecarboxaldehyde

 

Chemical Formula: C9H6BrNO
Exact Mass: 222.96
Molecular Weight: 224.05
m/z: 222.96 (100.0%), 224.96 (97.3%), 223.97 (9.8%), 225.96 (9.8%)

 

InChI:InChI=1S/C9H6BrNO/c10-8-3-1-2-7-6(5-12)4-11-9(7)8/h1-5,11H

InChI Key:MGPMWCBAOQWENZ-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C(=C1)Br)NC=C2C=O

 

Thermal Properties Value Condition Note
Melting Point 175-176 °C   (2)IC
Melting Point 171-172 °C Solv: ethyl acetate (141-78-6) (1)CAS
Melting Point 165-167 °C   (3)CAS

Specification

98%
References
  1. (1) Sperry, Jonathan; Tetrahedron 2010, V66(33), P6483-6495 CAPLUS
  2. (2) Ohta, Toshiharu; Heterocycles 1987, V26(11), P2817-22 CAPLUS
  3. (3) Berthelot, Alexandra; Journal of Organic Chemistry 2003, V68(25), P9835-9838 CAPLUS
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