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
External Identifiers
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
EstimatedEstimated / 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
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary 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 CAS / Similar Products
Similar products (text references)
Recommended application cues
Catalog discovery cues, not supplier-verified claims.
Related HS Code / Compliance
Compliance cues are non-linked reference tags and require shipment review.