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3515-93-3

Basic Information
CAS No.: 3515-93-3
Name: 3-formylpropiononitrile
Article Data: 31
Molecular Structure:
Molecular Structure of 3515-93-3 (3-formylpropiononitrile)
Formula: C4H5 N O
Molecular Weight: 83.0898
Synonyms: Propionaldehyde,3-cyano- (6CI,7CI); Succinaldehydonitrile (8CI); 3-Cyanopropanal;3-Cyanopropionaldehyde; 3-Formylpropionitrile; 4-Oxobutanenitrile;4-Oxobutyronitrile; b-Cyanopropionaldehyde; b-Cyanopropionic aldehyde
EINECS: 222-518-8
Density: 0.974g/cm3
Boiling Point: 209.4°Cat760mmHg
Flash Point: 80.4°C
PSA: 40.86000
LogP: 0.48908
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  • 4-oxobutanenitrile CAS No.3515-93-3

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    4-oxobutanenitrile CAS No.3515-93-3

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Chemistry

Molecular structure of 3-Cyanopropanal (CAS NO.3515-93-3) is:

Product Name: 3-Cyanopropanal
CAS Registry Number: 3515-93-3
IUPAC Name: 4-Oxobutanenitrile
Molecular Weight: 83.0886 [g/mol]  
Molecular Formula: C4H5NO  
XLogP3-AA: -0.7  
H-Bond Donor: 0  
H-Bond Acceptor: 2
EINECS: 222-518-8
Index of Refraction: 1.4 
Molar Refractivity: 20.68 cm3 
Molar Volume: 85.2 cm3
Surface Tension: 35.7 dyne/cm 
Density: 0.974 g/cm3 
Flash Point: 80.4 °C 
Enthalpy of Vaporization: 44.56 kJ/mol 
Boiling Point: 209.4 °C at 760 mmHg 
Vapour Pressure: 0.204 mmHg at 25 °C 
Canonical SMILES: C(CC#N)C=O
InChI: InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2 
InChIKey: CGFGIKNLZTZJDE-UHFFFAOYSA-N

Specification

 3-Cyanopropanal , its cas register number is 3515-93-3. It also can be called 3-Formylpropiononitrile ; Butanenitrile, 4-oxo- .