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CAS Number: 2338-71-8
5-fluoro-1H-indole-3-carbaldehyde

Structure

 5-fluoro-1H-indole-3-carbaldehyde
Name: 5-fluoro-1H-indole-3-carbaldehyde
Synonyms:
General Information
Product Number: 2338718

CAS Registry Number 2338-71-8
Name:
1H-?Indole-?3-?carboxaldehyde, 5-?fluoro-
Indole-3-carboxaldehyde, 5-fluoro- (7CI,8CI)
3-Formyl-5-fluoroindole
5-Fluoro-1H-indole-3-carboxaldehyde
5-Fluoroindole-3-carboxaldehyde
NSC 88615

 

Chemical Formula: C9H6FNO
Exact Mass: 163.04
Molecular Weight: 163.15
m/z: 163.04 (100.0%), 164.05 (9.8%)

 

InChI:InChI=1S/C9H6FNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H

InChI Key:YUAJKGBLPVLADK-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1F)C(=CN2)C=O

 

Thermal Properties Value Condition Note
Melting Point 170-171 °C Solv: ethanol (64-17-5) (4)CAS
Melting Point 162-163 °C Solv: ethanol (64-17-5) (5)CAS
Melting Point 160-162 °C   (7)CAS
Melting Point 143-146 °C   (2)CAS

Specification

98%
References
  1. (2) Muratore, Michael E.; Journal of the American Chemical Society 2009, V131(31), P10796-10797 CAPLUS
  2. (4) Johnson, James E.; Journal of Chemical Crystallography 2009, V39(5), P329-336 CAPLUS
  3. (5) Na, Young Min; Journal of Enzyme Inhibition and Medicinal Chemistry 2004, V19(6), P451-457 CAPLUS
  4. (7) Kruszynska, Lydia; GB 966562 1964 CAPLUS
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