2-Methyl-2-phenylpropanenitrile

Basic Information

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CAS Number

1195-98-8

Molecular Formula

C10H11N

Molecular Weight

145.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

118-120 ºC (24 Torr)

Flash Point

101.4±5.1 ºC,

Refractive Index

1.5051 (589.3 nm 20 ºC)

SMILES

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

InChI

InChI=1S/C10H11N/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,1-2H3

InChIKey

PGQTYXFMSZUGOW-UHFFFAOYSA-N

LogP

2.48778

Complexity

167

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-Methyl-2-phenylpropionitrile
FT-0683518
EN300-35236
MFCD00099614
DTXSID80383929
PGQTYXFMSZUGOW-UHFFFAOYSA-N
M3308
SY001232
AC-2447
SCHEMBL230672
CS-0067905
Z339435272
benzeneacetonitrile, alpha,alpha-dimethyl-
phenylisobutyronitrile
2-methyl-2-phenyl-propionitrile
A892535
PS-8962
2-methyl-2-phenylpropanenitrile
Benzeneacetonitrile,a,a-dimethyl-
AMY20197
alpha,alpha-dimethylphenylacetonitrile
AKOS005173704
1195-98-8
2-Methyl-2-phenylpropanenitrile
2-Phenylisobutyronitrile
Dimethylphenylacetonitrile
alpha-Phenyl-alpha-methylpropionitrile
alpha-Phenylisobutyronitrile
2-methyl-2-phenyl-propanenitrile
alpha,alpha-dimethylbenzyl cyanide
3361AA

MDL Number

MFCD00099614

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 2-Methyl-2-phenylpropanenitrile (CAS: 1195-98-8)?

2-Methyl-2-phenylpropanenitrile (CAS: 1195-98-8) is a colorless to light yellow liquid with a molecular weight of approximately 154.23 g/mol. It is slightly soluble in water but miscible with organic solvents. Chemically, it is relatively stable but can react with strong oxidizers. It has a relatively low boiling point of 109-110°C and a melting point of -48°C to -47°C.

How is 2-Methyl-2-phenylpropanenitrile (CAS: 1195-98-8) typically synthesized?

2-Methyl-2-phenylpropanenitrile (CAS: 1195-98-8) is usually synthesized via a nitrile addition reaction, where an alkyl nitrile reacts with a phenylacetylene. Common methods include the use of palladium catalysts in the presence of a base, leading to a high yield of the desired product with good selectivity.

What industries use 2-Methyl-2-phenylpropanenitrile (CAS: 1195-98-8)?

2-Methyl-2-phenylpropanenitrile (CAS: 1195-98-8) is employed in various industries. It is used as a precursor in pharmaceutical manufacturing, where it serves as an intermediate for drug synthesis. It also finds applications in polymer chemistry for developing specialized polymers, and in the sensor industry for its potential as a chemical sensor material.

What precautions should be taken when handling 2-Methyl-2-phenylpropanenitrile (CAS: 1195-98-8)?

When handling 2-Methyl-2-phenylpropanenitrile (CAS: 1195-98-8), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Operations should be conducted in a well-ventilated area or a fume hood. Spills should be handled promptly with absorbent materials, and the chemical should be stored in a cool, dry place away from heat sources. Always refer to the Safety Data Sheet (SDS) for detailed safety guidelines.