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CAS Number: 4494-18-2
isoquinoline-1-carbaldehyde

Structure

isoquinoline-1-carbaldehyde
Name: isoquinoline-1-carbaldehyde
Synonyms:
General Information
Product Number: 4494182
CAS Registry Number: 4494-18-2
Name:
1-​Isoquinolinecarboxal​dehyde
Isoquinaldaldehyde (8CI); 1-​Formylisoquinoline; NSC 101192 
 
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/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-7H
InChIKey: HORFVOWTVOJVAN-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)C=CN=C2C=O
 
Thermal Properties Value Condition Note
Melting Point 55-56 °C   (2)CAS
Melting Point 55-55.5 °C   (3)CAS

Specification

98%

References
  1. (1) Pascu, Mirela; Dalton Transactions 2006, (22), P2635-2642 CAPLUS
  2. (2) Khusnutdinov, R. I.; Russian Journal of Organic Chemistry 2010, V46(5), P706-708 CAPLUS
  3. (3) Barrows, Robert S.; Journal of the American Chemical Society 1942, V64, P2430-2 CAPLUS
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