CAS 13816-33-6

4-(1-Methylethyl)benzonitrile

Description:

4-(1-Methylethyl)benzonitrile, also known as p-isopropylbenzonitrile, is an organic compound characterized by a benzene ring substituted with a nitrile group (-C≡N) and an isopropyl group (-C(CH₃)₂) at the para position. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. It is known for its aromatic properties and is often used in organic synthesis and as an intermediate in the production of various chemicals. The presence of the nitrile group contributes to its reactivity, making it useful in nucleophilic addition reactions. Additionally, the isopropyl group influences its solubility and boiling point, generally making it more hydrophobic. Safety data indicates that it should be handled with care, as it may pose health risks upon exposure. Overall, 4-(1-Methylethyl)benzonitrile is a valuable compound in the field of organic chemistry, particularly in the synthesis of pharmaceuticals and agrochemicals.

Formula: C₁₀H₁₁N

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

InChI key: InChIKey=YFDJCWXBKWRDPW-UHFFFAOYSA-N

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

Synonyms:

• 4-(1-Methylethyl)benzonitrile
• 4-(Propan-2-Yl)Benzonitrile
• 4-Cyanocumene
• Benzonitrile, 4-(1-methylethyl)-
• Benzonitrile, p-isopropyl-
• Cuminylnitrile
• p-Cyanocumene
• p-Isopropylbenzonitrile

4-Isopropylbenzonitrile, 95%

CAS: 13816-33-6

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₁₀H₁₁N

Purity: 95%

Color and Shape: Clear colorless to pale yellow, Liquid

Molecular weight: 145.21

Ref: 02-A11954

Benzonitrile, 4-(1-methylethyl)-

CAS: 13816-33-6

Formula: C₁₀H₁₁N

Purity: 98%

Color and Shape: Solid

Molecular weight: 145.2010

Ref: IN-DA00183O

4-Isopropylbenzonitrile

CAS: 13816-33-6

4-Isopropylbenzonitrile

Purity: 95%

Color and Shape: Liquid

Molecular weight: 145.20g/mol

Ref: 54-OR28694

4-Isopropylbenzonitrile

CAS: 13816-33-6

Formula: C₁₀H₁₁N

Purity: 97%

Molecular weight: 145.205

Ref: 10-F068258

4-Isopropylbenzonitrile

CAS: 13816-33-6

4-Isopropylbenzonitrile (4IPB) is a reactive molecule that can be used to generate nitro radicals. It is a good candidate for the generation of nitro radicals because it has a redox potential that is near the center of the range encompassed by reactions with hydrogen peroxide. 4IPB also reacts with halogenated compounds, such as haloalkyls, which are efficient methods for generating nitro radicals. The reactivity of 4IPB can be demonstrated through assays using nitro and radical chain reactions. Hyperbolic plots of c1-6 alkyl and c1-4 alkyl in acidic media show that 4IPB is more reactive than other molecules in this class, such as mda-mb-231 cell and tyrosinase.

Formula: C₁₀H₁₁N

Purity: Min. 95%

Molecular weight: 145.2 g/mol

Ref: 3D-NAA81633