CAS 52798-42-2

Methyl α-chloro-4-cyanobenzeneacetate

Description:

Methyl α-chloro-4-cyanobenzeneacetate, with the CAS number 52798-42-2, is an organic compound characterized by its functional groups, including an ester, a chloro substituent, and a cyano group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is known for its moderate solubility in organic solvents, while being less soluble in water due to the presence of hydrophobic aromatic and aliphatic components. The chloro and cyano groups contribute to its reactivity, making it useful in various synthetic applications, particularly in organic synthesis and medicinal chemistry. Methyl α-chloro-4-cyanobenzeneacetate may exhibit biological activity, which can be explored for potential pharmaceutical applications. Safety precautions should be taken when handling this compound, as it may pose health risks, including irritation to the skin, eyes, and respiratory system. Proper storage and disposal methods are essential to mitigate environmental impact and ensure safety in laboratory settings.

Formula: C₁₀H₈ClNO₂

InChI: InChI=1S/C10H8ClNO2/c1-14-10(13)9(11)8-4-2-7(6-12)3-5-8/h2-5,9H,1H3

InChI key: InChIKey=SCRAESCCIFDCDR-UHFFFAOYSA-N

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

Synonyms:

• Benzeneacetic acid, α-chloro-4-cyano-, methyl ester
• Methyl α-chloro-4-cyanobenzeneacetate

Methyl 2-chloro-2-(4-cyanophenyl)acetate

CAS: 52798-42-2

Versatile small molecule scaffold

Formula: C₁₀H₈ClNO₂

Purity: Min. 95%

Molecular weight: 209.63 g/mol

Ref: 3D-CCA79842