MolGraphChemical Intelligence
Active Chemical RecordCatalog PreviewCatalog ready

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

CAS 1142199-45-8Formula C12H10ClNO2MW 235.66PubChem 25220216

(4E)-3-(chloromethyl)-4-(4-methylbenzylidene)isoxazol-5(4H)-one is a functionalized isoxazolone derivative featuring a chloromethyl group and a 4-methylbenzylidene moiety. This compound serves as a versatile building block in organic synthesis, primarily for research and development applications.

Loading RDKit molecule structure...
InChIKey: VUSJRRXBGYNHSH-UXBLZVDNSA-NC12H10ClNO2 | MW 235.66

Chemical Identity

Molecular Formula

C12H10ClNO2

Molecular Weight

235.66 g/mol

Exact Mass

235.040006

PubChem CID

25220216

IUPAC Name

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

SMILES String

Cc1ccc(/C=C2/C(=O)ON=C2CCl)cc1

Names & Synonyms

3-(Chloromethyl)-4-(4-methylbenzylidene)isoxazol-5(4H)-one(4E)-3-(chloromethyl)-4-[(4-methylphenyl)methylidene]-4,5-dihydro-1,2-oxazol-5-one(4E)-3-(chloromethyl)-4-(4-methylbenzylidene)-1,2-oxazol-5(4H)-oneH24736F367276
Show all synonyms
(4E)-3-(chloromethyl)-4-(p-tolylmethylene)isoxazol-5-one
External Identifiers
MFCD12027808ALBB-008229STK505216AKOS005171867LS-02905

Catalog Overview

(4E)-3-(chloromethyl)-4-(4-methylbenzylidene)isoxazol-5(4H)-one is an organic compound with the molecular formula C12H10ClNO2 and a molecular weight of 235.66 g/mol. It is characterized by an isoxazolone core substituted with a chloromethyl group at position 3 and a 4-methylbenzylidene group at position 4, with an E-configuration around the exocyclic double bond. This structure makes it a valuable intermediate for introducing both a reactive chloromethyl functionality and a substituted aromatic ring into target molecules. It is typically employed in synthetic chemistry for the construction of more complex organic structures.

Use Context

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

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

150.0 °C

Boiling Point

390.0 °C

Density

1.3 g/cm³

Water Solubility

Slightly soluble

Flash Point

180.0 °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 (4E)-3-(chloromethyl)-4-(4-methylbenzylidene)isoxazol-5(4H)-one with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Work in a well-ventilated area, preferably a chemical fume hood, to avoid inhalation of dust or vapors. Prevent contact with skin and eyes, and do not ingest. In case of exposure, follow standard first aid procedures and seek medical attention if necessary. Store in a cool, dry place, away from incompatible materials. Dispose of waste according to local regulations for chemical waste. This product is for research use only and not for human or animal therapeutic or diagnostic use.

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.