3-Benzylbenzonitrile

Basic Information

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CAS Number

93717-55-6

Molecular Formula

C14H11N

Molecular Weight

182.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

49-53 °C

SMILES

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C1=CC=C(C=C1)CC2=CC(=CC=C2)C#N

InChI

InChI=1S/C14H11N/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15/h2-9H,1H3

InChIKey

ZGQVZLSNEBEHFN-UHFFFAOYSA-N

LogP

3.9704400000000026

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

231

Synonyms & References

English

4'-Methyl-[1,1'-biphenyl]-2-carbonitrile
OTBN
2-cyano-4-methylbiphenyl
2-CYANO-4'-METHYL BIPHENYL
4'-methyl-2-cyano-biphenyl (for Losartan)
AKOS BAR-1203
4'-METHYLBIPHENYL-2-CARBONITRILE
4'-METHYL-2-BIPHENYLCARBONITRILE
4'-METHYL-2-CYANOBIPHENYL
4'-METHYL[1,1'-BIPHENYL]-2-CARBONITRILE
2-(4-TOLYL)-BENZONITRILE
2-(4-METHYLPHENYL)BENZONITRILE
[2-(P-TOLYL)BENZONITRILE]
2-Cyano-4'-methylbiphenyl (OTBN)
3-(phenylmethyl)Benzonitrile
m-Tolunitrile,a-phenyl- (7CI)
3-Benzylbenzonitrile
3-(Phenylmethyl)benzonitrile (ACI)
m-Tolunitrile, α-phenyl- (7CI)
93717-55-6
m-Tolunitrile, alpha-phenyl-
AKOS028109959
GOFIMQVJGKCLGF-UHFFFAOYSA-N
SCHEMBL4196662
Benzonitrile, 3-(phenylmethyl)-

MDL Number

MFCD06411093

FAQ

What are the physical and chemical properties of 3-Benzylbenzonitrile (CAS: 93717-55-6)?

3-Benzylbenzonitrile (CAS: 93717-55-6) is a colorless to pale yellow liquid with a pungent odor. Its molecular weight is approximately 196.21 g/mol. It is slightly soluble in water but miscible with organic solvents such as ethanol and acetone. This compound is moderately reactive, especially towards nucleophiles and bases

How is 3-Benzylbenzonitrile (CAS: 93717-55-6) typically synthesized?

3-Benzylbenzonitrile is commonly synthesized via the nitrilation of benzyltoluene with sodium hydroxide in water. Alternatively, it can be prepared by reacting benzyl alcohol with acetonitrile in the presence of a base such as sodium hydroxide. The yield is generally high, and the reaction is relatively simple but requires the use of appropriate safety measures and equipment

What industries use 3-Benzylbenzonitrile (CAS: 93717-55-6)?

3-Benzylbenzonitrile (CAS: 93717-55-6) is used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry for the production of special plastics and in the sensor industry for manufacturing gas sensors. Additionally, it has applications in the semiconductor industry, particularly in the fabrication of electronic devices

What precautions should be taken when handling 3-Benzylbenzonitrile (CAS: 93717-55-6)?

When handling 3-Benzylbenzonitrile (CAS: 93717-55-6), always wear personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store the compound in a cool, dry place away from heat sources and incompatible materials. Use a fume hood during handling to minimize exposure. In the event of a spill, immediately clean up using appropriate absorbent materials and follow safety data sheet (SDS) guidelines for disposal