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CAS Number: 935-02-4
3-phenylpropiolonitrile

Structure

3-phenylpropiolonitrile
Name: 3-phenylpropiolonitrile
Synonyms:
General Information
Product Number: 935024

CAS Registry Number 935-02-4
Name:
2-​Propynenitrile, 3-​phenyl-
Propiolonitrile, phenyl- (6CI,7CI,8CI)
1-Cyano-2-phenylacetylene
1-Phenyl-2-cyanoacetylene
3-Phenyl-2-propynenitrile
3-Phenylpropynenitrile

 

Chemical Formula: C9H5N
Exact Mass: 127.04
Molecular Weight: 127.14
m/z: 127.04 (100.0%), 128.05 (9.8%)

 

InChI:InChI=1S/C9H5N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H

InChI Key:IYXVSRXFGYDNEV-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Boiling Point 105-106 °C Press: 12 Torr (1)CAS
Boiling Point 95-98 °C Press: 10 Torr (2)CAS
Boiling Point 93-94 °C Press: 7 Torr (3)IC
Boiling Point 90-95 °C Press: 10 Torr (4)IC
Boiling Point 75 °C Press: 2.5 Torr (5)IC
Boiling Point 73-74 °C Press: 3 Torr (6)CAS
Boiling Point 70 °C Press: 1 Torr (7)IC

Specification

98%

References
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