3,3-Diphenylpropanenitrile

Basic Information

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CAS Number

2286-54-6

Molecular Formula

C15H13N

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

86 °C

Boiling Point

174°C/3mmHg

Density

1.057

Flash Point

194.4°C

Refractive Index

1.574

SMILES

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C1=CC=C(C=C1)C(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C15H13N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11H2

InChIKey

INERKLNEVAZSCI-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

219

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

BRD-K55260034-001-01-7
3,3-DIPHENYL PROPIONITRILE
AKOS015889667
3,3-Diphenylpropiononitrile
DTXSID40177402
2286-54-6
NS00010691
D82111
3,3-Diphenylpropionitrile
INERKLNEVAZSCI-UHFFFAOYSA-N
NCGC00172687-01
AS-58716
3,3-Diphenyl-propionitrile
3,3-Diphenylpropanenitrile
Benzenepropanenitrile, beta-phenyl-
2-Cyano-1,1-diphenylethane
beta-Phenylbenzenepropanenitrile
HMS1474L22
SR-01000402803
Q-200335
FT-0634180
AM90192
3,3-Diphenylpropanenitrile #
CS-0156516
EN300-1861458
ChemDiv3_000616
MFCD00129747
NVN7LFX3U6
diphenylpropionitrile
D2590
Benzenepropanenitrile, .beta.-phenyl-

MDL Number

MFCD00129747

Customs Code

2926909090

FAQ

What is 3,3-Diphenylpropanenitrile (CAS: 2286-54-6)?

3,3-Diphenylpropanenitrile is an organic compound with the chemical formula C13H12N. It is a colorless to pale yellow liquid with a distinctive odor. It is used in various applications including pharmaceuticals, pesticides, and as a solvent in organic synthesis.

What are the main uses of 3,3-Diphenylpropanenitrile (CAS: 2286-54-6)?

3,3-Diphenylpropanenitrile is primarily used in the synthesis of pharmaceuticals, particularly as an intermediate in the production of certain drugs. It is also utilized in the formulation of pesticides and as a solvent in organic chemistry and chemical research.

Is 3,3-Diphenylpropanenitrile (CAS: 2286-54-6) safe?

3,3-Diphenylpropanenitrile is considered safe under normal handling conditions when appropriate protective measures are taken. However, it is classified as a hazardous chemical. Proper personal protective equipment (PPE), including gloves, goggles, and a lab coat, should be worn. It should be handled in a well-ventilated area and away from sources of ignition.

How should 3,3-Diphenylpropanenitrile (CAS: 2286-54-6) be stored?

3,3-Diphenylpropanenitrile should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent evaporation and exposure to air. The storage area should have adequate ventilation and be accessible only to trained personnel.