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(4-Chloro-2-cyanophenyl)methyl acetate

CAS 1432679-22-5Formula C10H8ClNO2MW 209.63PubChem 71758301

(4-Chloro-2-cyanophenyl)methyl acetate is a functionalized intermediate with the chemical formula C10H8ClNO2 and a molecular weight of 209.63. It is primarily used in research and development as a building block for synthesizing more complex organic molecules.

Loading RDKit molecule structure...
InChIKey: KARHIRHASQFDHI-UHFFFAOYSA-NC10H8ClNO2 | MW 209.63

Chemical Identity

Molecular Formula

C10H8ClNO2

Molecular Weight

209.63 g/mol

Exact Mass

209.024356

PubChem CID

71758301

SMILES String

CC(=O)OCc1ccc(Cl)cc1C#N

Names & Synonyms

(4-chloro-2-cyanophenyl)methylacetateG51897
External Identifiers
HHC67922EN300-127508

Catalog Overview

(4-Chloro-2-cyanophenyl)methyl acetate, identified by CAS 1432679-22-5, is an organic compound categorized as a functionalized intermediate. Its structure features a chlorinated and cyanated phenyl group, with an acetate ester attached via a methyl linker. This compound's specific functional groups make it valuable in synthetic organic chemistry, particularly for introducing chloro, cyano, and ester functionalities into target molecules. Researchers may utilize it in various reaction schemes, including cross-coupling reactions, nucleophilic substitutions, or as a precursor for further derivatization in the synthesis of novel...

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Read more catalog context

(4-Chloro-2-cyanophenyl)methyl acetate, identified by CAS 1432679-22-5, is an organic compound categorized as a functionalized intermediate. Its structure features a chlorinated and cyanated phenyl group, with an acetate ester attached via a methyl linker. This compound's specific functional groups make it valuable in synthetic organic chemistry, particularly for introducing chloro, cyano, and ester functionalities into target molecules. Researchers may utilize it in various reaction schemes, including cross-coupling reactions, nucleophilic substitutions, or as a precursor for further derivatization in the synthesis of novel compounds for research purposes.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

320.0 °C

Density

1.3 g/cm³

Water Solubility

Slightly soluble

Flash Point

160.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle (4-Chloro-2-cyanophenyl)methyl acetate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety glasses, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for comprehensive safety information before use.

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