3-Phenylpropiolonitrile

Basic Information

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CAS Number

935-02-4

Molecular Formula

C9H5N

Molecular Weight

92.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

37.0 to 41.0 deg-C

Boiling Point

229°C

Density

1.09

Flash Point

88 ºC

Refractive Index

1.4804 (estimate)

SMILES

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C1=CC=C(C=C1)C#CC#N

InChI

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

InChIKey

IYXVSRXFGYDNEV-UHFFFAOYSA-N

LogP

1.99502

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

201

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

3-Phenylpropiolonitrile
3-Phenyl-2-propynenitrile
2-Propyne nitrile,3-phenyl-(9CI)
2-Propynenitrile,3-phenyl-
3-phenylprop-2-ynenitrile
C9H5N
1-Cyano-2-phenylacetylene
Cyanophenylacetylene
NSC 71547
Phenylcyanoacetylene
Phenylpropiolonitrile
Phenylpropynenitrile
2-Propynenitrile, 3-phenyl- (9CI)
2-Propynenitrile, 3-phenyl-
Propiolonitrile, phenyl-
Phenylpropiolique nitrile [French]
Phenylpropiolique nitrile
phenylpropionitril
NSC71547
Phenyl-propynenitrile
3-Phenylpropalonitrile
3-phenyl-prop-2-ynenitrile
NCIOpen2_000538
3-Phenyl-2-propynenitrile (ACI)
Propiolonitrile, phenyl- (6CI, 7CI, 8CI)
1-Phenyl-2-cyanoacetylene
3-Phenylpropynenitrile
BRN 0386022
EN300-1237351
P2333
3-phenyl-2-propynenitrile

MDL Number

MFCD19300770

Customs Code

2926909090

FAQ

What is 3-Phenylpropiolonitrile (CAS: 935-02-4)?

3-Phenylpropiolonitrile (CAS: 935-02-4) is a colorless to white solid with the molecular formula C9H9CN. It has a pungent odor and is used in various applications, including pharmaceuticals and as a precursor in organic synthesis.

What are the main uses of 3-Phenylpropiolonitrile (CAS: 935-02-4)?

3-Phenylpropiolonitrile is primarily used as a starting material in the synthesis of other organic compounds, including pharmaceuticals and agrochemicals. It is also used in the production of dyes and other chemical intermediates.

Is 3-Phenylpropiolonitrile (CAS: 935-02-4) safe?

3-Phenylpropiolonitrile is classified as a hazardous material and should be handled with caution. It is toxic by inhalation, ingestion, and skin contact. Proper protective equipment, such as gloves and goggles, should be used during handling. Adequate ventilation is also necessary to prevent inhalation exposure.

How should 3-Phenylpropiolonitrile (CAS: 935-02-4) be stored?

3-Phenylpropiolonitrile should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent moisture absorption. It should be stored at a temperature below 25°C to maintain its stability and prevent degradation.