Chemical Identity
Molecular Formula
C13H9BClFN2O
Molecular Weight
274.49 g/mol
Exact Mass
274.048049
PubChem CID
177929763
IUPAC Name
2-(3-chloro-5-fluorophenyl)-1,3-dihydro-1,3,2-benzodiazaborinin-4-one
SMILES String
O=C1NB(c2cc(F)cc(Cl)c2)Nc2ccccc21
Names & Synonyms
Catalog Overview
2-(3-Chloro-5-fluorophenyl)-2,3-dihydrobenzo[D][1,3,2]diazaborinin-4(1H)-one, identified by CAS 2319688-43-0, is an organic compound with the molecular formula C13H9BClFN2O and a molecular weight of 274. 49. It features a unique 2,3-dihydrobenzo[D][1,3,2]diazaborinin-4(1H)-one heterocyclic core substituted with a 3-chloro-5-fluorophenyl group. This compound is classified as a functionalized intermediate, making it valuable in synthetic organic chemistry for the creation of more complex molecules.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
2-(3-Chloro-5-fluorophenyl)-2,3-dihydrobenzo[D][1,3,2]diazaborinin-4(1H)-one, identified by CAS 2319688-43-0, is an organic compound with the molecular formula C13H9BClFN2O and a molecular weight of 274.49. It features a unique 2,3-dihydrobenzo[D][1,3,2]diazaborinin-4(1H)-one heterocyclic core substituted with a 3-chloro-5-fluorophenyl group. This compound is classified as a functionalized intermediate, making it valuable in synthetic organic chemistry for the creation of more complex molecules. Its specific structural features, including the boron, nitrogen, and halogen atoms, suggest potential utility in various synthetic pathways, particularly in medicinal chemistry or materials science research where novel heterocyclic scaffolds are often explored. This product is for research use only.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white powder
Physical State
Solid
Melting Point
160.0 °C
Boiling Point
380.0 °C
Density
1.35 g/cm³
Water Solubility
Slightly soluble
Flash Point
200.0 °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 to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
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