[4-(2-Methyl-2-propanyl)phenyl]acetonitrile

Basic Information

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CAS Number

3288-99-1

Molecular Formula

C12H15N

Molecular Weight

173.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

79-81°C 0,1mm

Density

0.95

Flash Point

120.4°C

Refractive Index

1.505

SMILES

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CC(C)(C)c1ccc(CC#N)cc1

InChI

InChI=1S/C12H15N/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7H,8H2,1-3H3

InChIKey

QKJPXROEIJPNHG-UHFFFAOYSA-N

LogP

3.05018

Complexity

195

Safety Information

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Hazard Statement

Synonyms & References

English

2-[4-(tert-Butyl)phenyl]ethanenitrile
4-TERT-BUTYLPHENYLACETONITRILE
4-(1,1-dimethylethyl)-benzeneacetonitril
Butylphenylacetonitrile
HiCrome?MS.0157 Agar
4-Butylphenylacetonitrile
4-tert-Butylphenyl-acetonitril
Benzeneacetonitrile, 4-(1,1-dimethylethyl)-
4-(1,1-Dimethylethyl)benzeneacetonitrile
4-tert-Butylbenzeneacetonitrile
2-(4-(tert-Butyl)phenyl)acetonitrile
2-(4-tert-butylphenyl)acetonitrile
4-TERT-BUTYL BENZYL CYANIDE
4-TERTBUTYLBENZYL CYANIDE
4-tert-Butylphenyl-acetonitrile
p-tert-butyl-benzyl cyanide
p-tert-butylphenylacetonitrile
(4-tert-Butylphenyl)acetonitrile
4-(tert-Butyl)benzyl cyanide

MDL Number

MFCD00128112

Customs Code

2926909090

FAQ

What is [4-(2-Methyl-2-propanyl)phenyl]acetonitrile (CAS: 3288-99-1)?

[4-(2-Methyl-2-propanyl)phenyl]acetonitrile (CAS: 3288-99-1) is a synthetic organic compound with the chemical formula C12H15NO. It features a phenyl ring substituted with a tert-butyl group and an acetonitrile functional group, making it a versatile intermediate in chemical synthesis. The molecule is typically a liquid at room temperature and exhibits moderate solubility in organic solvents. Its structural characteristics include aromaticity and a nitrile group, which contribute to its reactivity in various chemical reactions.

What are the main uses of [4-(2-Methyl-2-propanyl)phenyl]acetonitrile (CAS: 3288-99-1)?

[4-(2-Methyl-2-propanyl)phenyl]acetonitrile (CAS: 3288-99-1) is primarily used in pharmaceutical research as a building block for drug development. It also serves as an intermediate in the synthesis of agrochemicals and specialty chemicals. Additionally, it is employed in organic chemistry for creating derivatives with tailored properties. Its applications are broad, leveraging its structural versatility and reactivity in industrial and research settings.

Is [4-(2-Methyl-2-propanyl)phenyl]acetonitrile (CAS: 3288-99-1) safe?

[4-(2-Methyl-2-propanyl)phenyl]acetonitrile (CAS: 3288-99-1) requires careful handling due to potential toxicity. It may cause skin and respiratory irritation, and safety data sheets (SDS) recommend protective measures such as gloves, goggles, and proper ventilation. While not classified as highly hazardous under standard regulations, it should be used in accordance with safety standards to minimize exposure risks. Always follow established protocols for handling organic nitriles.

How should [4-(2-Methyl-2-propanyl)phenyl]acetonitrile (CAS: 3288-99-1) be stored?

[4-(2-Methyl-2-propanyl)phenyl]acetonitrile (CAS: 3288-99-1) should be stored in a cool, dry place, ideally below 25°C, to maintain stability. It is sensitive to moisture and light, so storage in airtight, dark containers made of glass or HDPE is recommended. Keeping it away from heat sources and ensuring proper ventilation in storage areas are essential precautions to prevent degradation or hazardous reactions. Always store in a well-ventilated chemical cabinet.