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2-(3-Chloro-5-fluorophenyl)-2,3-dihydrobenzo[D][1,3,2]diazaborinin-4(1H)-one

CAS 2319688-43-0Formula C13H9BClFN2OMW 274.49PubChem 177929763

This compound is a functionalized intermediate containing a benzodiazaborininone core with chloro and fluoro substituents on a phenyl group. It is primarily intended for research and development applications.

Loading RDKit molecule structure...
InChIKey: CDYMRPSBECIRQU-UHFFFAOYSA-NC13H9BClFN2O | MW 274.49

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

H64997F570282

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.

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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

Estimated

Estimated / 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

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 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.

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