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CAS Number: 331714-58-0
5-formylisophthalonitrile

Structure

5-formylisophthalonitrile
Name: 5-formylisophthalonitrile
Synonyms:
General Information
Product Number: 331714580

CAS Registry Number 331714-58-0
Name:
1,​3-​Benzenedicarbonitril​e, 5-​formyl-
3,5-Dicyanobenzaldehyde

 

Chemical Formula: C9H4N2O
Exact Mass: 156.03
Molecular Weight: 156.14
m/z: 156.03 (100.0%), 157.04 (9.8%)

 

InChI:InChI=1S/C9H4N2O/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3,6H

InChI Key:TXKYUJKLEQNBAO-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C=C1C#N)C#N)C=O

Specification

98%

References

PCT Int. Appl. (2010), WO 2010009047 A1 20100121.                                  

Journal of the American Chemical Society (2009), 131(15), 5444-5459.

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