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CAS Number: 31909-58-7
3-(furan-2-yl)-3-oxopropanenitrile

Structure

 3-(furan-2-yl)-3-oxopropanenitrile
Name: 3-(furan-2-yl)-3-oxopropanenitrile
Synonyms:
General Information
Product Number: 31909587

CAS Registry Number 31909-58-7
Name:
2-?Furanpropanenitrile, β-?oxo-
2-Furanpropionitrile, β-oxo- (6CI,8CI)
β-Oxo-2-furanpropanenitrile
2-(2-Furanoyl)acetonitrile
2-(Cyanoacetyl)furan
2-Furoylacetonitrile

 

Chemical Formula: C7H5NO2
Exact Mass: 135.03
Molecular Weight: 135.12
m/z: 135.03 (100.0%), 136.04 (7.7%)

 

InChI:InChI=1S/C7H5NO2/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5H,3H2

InChI Key:RZNSHBXVTAHWPP-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 79.5-80.5 °C   (3)CAS
Melting Point 75 °C Solv: ethyl acetate (141-78-6) (4)CAS

Specification

98%
References
  1. (3) Long, Robert S.; US 2392167 1946 CAPLUS
  2. (4) Musante, Carlo; Gazzetta Chimica Italiana 1958, V88, P879-98 CAPLUS
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