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CAS Number: 80278-67-7
isoquinoline-5-carbaldehyde

Structure

isoquinoline-5-carbaldehyde
Name: isoquinoline-5-carbaldehyde
Synonyms:
General Information
Product Number: 80278677
CAS Registry Number: 80278-67-7
Name:
5-​Isoquinolinecarboxal​dehyde
 
Chemical Formula: C10H7NO
Exact Mass: 157.05
Molecular Weight: 157.17
m/z: 157.05 (100.0%), 158.06 (10.9%)
Elemental Analysis: C, 76.42; H, 4.49; N, 8.91; O, 10.18
 
InChI: InChI=1S/C10H7NO/c12-7-9-3-1-2-8-6-11-5-4-10(8)9/h1-7H
InChIKey: ILRSABOCKMOFGW-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=CN=C2)C(=C1)C=O
 
Thermal Properties Value Condition Note
Melting Point 114-116 °C   (2)CAS
Melting Point 114-116 °C Solv: ethanol (64-17-5) (1)CAS
Melting Point 85-86 °C   (3)CAS

Specification

98%

References
  1. (1) Fernandes, Prabhavathi B.; WO 2005062894 A2 2005 CAPLUS
  2. (2) Sit, Sing-Yuen; Journal of Medicinal Chemistry 2002, V45(17), P3660-3668 CAPLUS
  3. (3) Rodionov, V. M.; Zhurnal Obshchei Khimii 1957, V27, P734-42 CAPLUS
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