Research chemical
CAS Number: 1142199-42-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
53407400
Exact Mass
235.040006
InChIKey
RZTKBSNJTMBFQS-UHFFFAOYSA-N
IUPAC Name
3-(chloromethyl)-4-[(3-methylphenyl)methylidene]-1,2-oxazol-5-one
SMILES String
Cc1cccc(C=C2C(=O)ON=C2CCl)c1
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Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
(4E)-3-(chloromethyl)-4-(3-methylbenzylidene)isoxazol-5(4H)-one is identified by CAS 1142199-42-5, with molecular formula C12H10ClNO2, molecular weight 235.66, InChIKey RZTKBSNJTMBFQS-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
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
Vapor Pressure
Estimated very low; unit not specified
Autoignition Temp
420.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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.
Structural features
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.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Primarily used as a chemical intermediate in synthetic organic chemistry for research and development purposes.
Documentation needs
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestCertificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request