MolGraphChemical Intelligence
Active Chemical RecordCatalog PreviewCatalog ready

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

CAS 1142199-42-5Formula C12H10ClNO2MW 235.66PubChem 53407400

This compound is a functionalized isoxazolone derivative featuring a chloromethyl group and a 3-methylbenzylidene moiety. It is primarily intended for research and development applications as a chemical intermediate.

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

Chemical Identity

Molecular Formula

C12H10ClNO2

Molecular Weight

235.66 g/mol

Exact Mass

235.040006

PubChem CID

53407400

IUPAC Name

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

SMILES String

Cc1cccc(C=C2C(=O)ON=C2CCl)c1

Names & Synonyms

3-(chloromethyl)-4-[(3-methylphenyl)methylidene]-4,5-dihydro-1,2-oxazol-5-oneN-[2-(1-Cyclohexen-1-yl)ethyl]-1-propanaminehydrochloride3-(Chloromethyl)-4-[(3-methylphenyl)methylidene]-1,2-oxazol-5(4H)-one5(4H)-Isoxazolone, 3-(chloromethyl)-4-[(3-methylphenyl)methylene]-
External Identifiers
DTXSID201165134

Catalog Overview

(4E)-3-(chloromethyl)-4-(3-methylbenzylidene)isoxazol-5(4H)-one is an organic compound with the molecular formula C12H10ClNO2. It belongs to the class of isoxazolones, characterized by a five-membered heterocyclic ring containing one oxygen and one nitrogen atom. The molecule incorporates a chloromethyl substituent at position 3 and a 3-methylbenzylidene group at position 4, indicating its potential as a versatile building block in synthetic organic chemistry. Its structure suggests utility in the synthesis of more complex molecules, particularly within pharmaceutical or agrochemical research, where functionalized heterocyclic...

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

(4E)-3-(chloromethyl)-4-(3-methylbenzylidene)isoxazol-5(4H)-one is an organic compound with the molecular formula C12H10ClNO2. It belongs to the class of isoxazolones, characterized by a five-membered heterocyclic ring containing one oxygen and one nitrogen atom. The molecule incorporates a chloromethyl substituent at position 3 and a 3-methylbenzylidene group at position 4, indicating its potential as a versatile building block in synthetic organic chemistry. Its structure suggests utility in the synthesis of more complex molecules, particularly within pharmaceutical or agrochemical research, where functionalized heterocyclic intermediates are often employed. This product is for research use only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white to off-white crystalline solid

Physical State

solid

Melting Point

120.0 °C

Boiling Point

319.0 °C

Density

1.31 g/cm³

Water Solubility

sparingly soluble

Flash Point

179.2 °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 fume hood. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for detailed safety information.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Related products and analog discovery will be available as catalog graph data is expanded.