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(4E)-3-(chloromethyl)-4-(2-methylbenzylidene)isoxazol-5(4H)-one

CAS 1142199-39-0Formula C12H10ClNO2MW 235.66PubChem 53407395

This compound is a functionalized isoxazolone derivative, featuring a chloromethyl group and a 2-methylbenzylidene moiety. It is primarily intended for research and development applications.

Loading RDKit molecule structure...
InChIKey: JCDBNEOZROKDSW-UHFFFAOYSA-NC12H10ClNO2 | MW 235.66

Chemical Identity

Molecular Formula

C12H10ClNO2

Molecular Weight

235.66 g/mol

Exact Mass

235.040006

PubChem CID

53407395

IUPAC Name

3-(chloromethyl)-4-[(2-methylphenyl)methylidene]-1,2-oxazol-5-one

SMILES String

Cc1ccccc1C=C1C(=O)ON=C1CCl

Names & Synonyms

3-(chloromethyl)-4-[(2-methylphenyl)methylidene]-4,5-dihydro-1,2-oxazol-5-one

Catalog Overview

(4E)-3-(chloromethyl)-4-(2-methylbenzylidene)isoxazol-5(4H)-one is an organic compound with the molecular formula C12H10ClNO2 and a molecular weight of 235. 66 g/mol. It belongs to the class of functionalized isoxazolone derivatives, characterized by an isoxazol-5(4H)-one core substituted with a chloromethyl group at position 3 and a 2-methylbenzylidene group at position 4. This structure makes it a versatile building block or intermediate in synthetic organic chemistry, particularly for the creation of more complex molecules.

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Read more catalog context

(4E)-3-(chloromethyl)-4-(2-methylbenzylidene)isoxazol-5(4H)-one is an organic compound with the molecular formula C12H10ClNO2 and a molecular weight of 235.66 g/mol. It belongs to the class of functionalized isoxazolone derivatives, characterized by an isoxazol-5(4H)-one core substituted with a chloromethyl group at position 3 and a 2-methylbenzylidene group at position 4. This structure makes it a versatile building block or intermediate in synthetic organic chemistry, particularly for the creation of more complex molecules. Its specific chemical features suggest potential utility in various research applications requiring halogenated and heterocyclic scaffolds.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

105.0 °C

Boiling Point

350.0 °C

Density

1.3 g/cm³

Water Solubility

Slightly soluble

Flash Point

195.0 °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 with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. 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 detailed safety information before use.

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