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CAS Number: 98600-34-1
4-bromo-1H-indole-3-carbaldehyde

Structure

4-bromo-1H-indole-3-carbaldehyde
Name: 4-bromo-1H-indole-3-carbaldehyde
Synonyms:
General Information
Product Number: 98600341

CAS Registry Number 98600-34-1
Name:
1H-​Indole-​3-​carboxaldehyde, 4-​bromo-
4-Bromo-1H-indole-3-carboxaldehyde
4-Bromo-3-formylindole
4-Bromo-3-indolecarbaldehyde
4-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/c10-7-2-1-3-8-9(7)6(5-12)4-11-8/h1-5,11H

InChI Key:IPAFHZDRYAWZOB-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C(=C1)Br)C(=CN2)C=O

 

Thermal Properties Value Condition Note
Melting Point 185-187 °C Solv: methanol (67-56-1); water (7732-18-5) (4)IC
Melting Point 183-185 °C Solv: dichloromethane (75-09-2); ligroine (8032-32-4) (1)CAS
Melting Point 168-170 °C   (2)CAS

Specification

98%

References
  1. (1) Kalinin, Alexey V.; Organic Letters 2003, V5(19), P3519-3521 CAPLUS
  2. (2) Muratore, Michael E.; Journal of the American Chemical Society 2009, V131(31), P10796-10797 CAPLUS
  3. (4) Somei, Masanori; Chemical & Pharmaceutical Bulletin 1985, V33(9), P3696-708 CAPLUS
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