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CAS Number: 35794-84-4
3-acetyl-4-hydroxybenzonitrile

Structure

 3-acetyl-4-hydroxybenzonitrile
Name: 3-acetyl-4-hydroxybenzonitrile
Synonyms:
General Information
Product Number: 35794844

CAS Registry Number 35794-84-4
Name:
Benzonitrile, 3-?acetyl-?4-?hydroxy-
2-Acetyl-4-cyanophenol
3-Acetyl-4-hydroxybenzonitrile
3-Cyano-6-hydroxyacetophenone
5-Cyano-2-hydroxyacetophenone

 

Chemical Formula: C9H7NO2
Exact Mass: 161.05
Molecular Weight: 161.16
m/z: 161.05 (100.0%), 162.05 (9.9%)

 

InChI:InChI=1S/C9H7NO2/c1-6(11)8-4-7(5-10)2-3-9(8)12/h2-4,12H,1H3

InChI Key:HSZUUVJFZOGAMB-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 106-108 °C Solv: methanol (67-56-1) (2)IC
Melting Point 103 °C   (3)CAS
Melting Point 101-103 °C Solv: ethanol (64-17-5) (4)CAS

Specification

98%
References
  1. (2) Wurm, Gotthard; Archiv der Pharmazie (Weinheim, Germany) 1977, V310(2), P119-28 CAPLUS
  2. (3) Cheng, Peng Li; Bulletin de la Societe Chimique de France 1963, (10), P2248-51 CAPLUS
  3. (4) Singh, Om. V.; Indian Journal of Heterocyclic Chemistry 2008, V18(2), P125-128 CAPLUS
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