CAS 1252672-59-5

4-Chloro-α,α-dimethylbenzenepropanenitrile

Description:

4-Chloro-α,α-dimethylbenzenepropanenitrile, also known by its CAS number 1252672-59-5, is an organic compound characterized by its unique structure, which includes a chloro substituent and a nitrile functional group. This compound features a propanenitrile moiety attached to a dimethyl-substituted benzene ring, specifically at the para position relative to the chloro group. The presence of the nitrile group (-C≡N) indicates that it can participate in various chemical reactions, such as nucleophilic additions or hydrolysis, making it a versatile intermediate in organic synthesis. The chloro group contributes to its reactivity and can influence the compound's physical properties, such as solubility and boiling point. Typically, compounds like this may exhibit moderate to high lipophilicity, affecting their behavior in biological systems and their potential applications in pharmaceuticals or agrochemicals. Safety data and handling precautions should be considered due to the presence of halogenated and nitrile functionalities, which can pose health risks.

Formula: C₁₁H₁₂ClN

InChI: InChI=1S/C11H12ClN/c1-11(2,8-13)7-9-3-5-10(12)6-4-9/h3-6H,7H2,1-2H3

InChI key: InChIKey=BRUVVKMNMOYTOB-UHFFFAOYSA-N

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

Synonyms:

• 4-Chloro-α,α-dimethylbenzenepropanenitrile
• Benzenepropanenitrile, 4-chloro-α,α-dimethyl-

3-(4-Chlorophenyl)-2,2-dimethylpropanenitrile

CAS: 1252672-59-5

Versatile small molecule scaffold

Formula: C₁₁H₁₂ClN

Purity: Min. 95%

Molecular weight: 193.67 g/mol

Ref: 3D-CAC67259