Research chemical
(4E)-3-(chloromethyl)-4-(2-methylbenzylidene)isoxazol-5(4H)-one
CAS Number: 1142199-39-0
Product details
Identity & specification
- Molecular formula
- C12H10ClNO2
- Molecular weight
- 235.66 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
53407395
Exact Mass
235.040006
InChIKey
JCDBNEOZROKDSW-UHFFFAOYSA-N
IUPAC Name
3-(chloromethyl)-4-[(2-methylphenyl)methylidene]-1,2-oxazol-5-one
SMILES String
Cc1ccccc1C=C1C(=O)ON=C1CCl
Physical Properties
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
Show more physical data
Vapor Pressure
Estimated value, unit not specified
Autoignition Temp
380.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
16
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
2
Ring count
2
Aromatic rings
1
Topological polar surface area
38.66 Ų
Computed LogP
2.53
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Catalog Facts
Structural features
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.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
This chemical is suitable for research and development purposes, including use as a synthetic intermediate in organic synthesis, for exploring novel chemical reactions, or in the development of new compounds. It is strictly for Research Use Only (RUO).
Documentation needs
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.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Procurement questions
What are the key identifiers for (4E)-3-(chloromethyl)-4-(2-methylbenzylidene)isoxazol-5(4H)-one (CAS 1142199-39-0)?
(4E)-3-(chloromethyl)-4-(2-methylbenzylidene)isoxazol-5(4H)-one is identified by CAS 1142199-39-0, with molecular formula C12H10ClNO2, molecular weight 235.66, InChIKey JCDBNEOZROKDSW-UHFFFAOYSA-N.
Can I request a COA for CAS 1142199-39-0?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for (4E)-3-(chloromethyl)-4-(2-methylbenzylidene)isoxazol-5(4H)-one?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1142199-39-0 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.