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2-(3,4-Difluorophenyl)-2,3-dihydrobenzo[D][1,3,2]diazaborinin-4(1H)-one

CAS 2319688-17-8Formula C13H9BF2N2OMW 258.03PubChem 177929769

This compound is a difluorophenyl-substituted benzodiazaborininone, a heterocyclic organic molecule. It is primarily intended for research and development purposes as a functionalized intermediate in synthetic chemistry.

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InChIKey: LLDUICJMMRBPIA-UHFFFAOYSA-NC13H9BF2N2O | MW 258.03

Chemical Identity

Molecular Formula

C13H9BF2N2O

Molecular Weight

258.03 g/mol

Exact Mass

258.077599

PubChem CID

177929769

IUPAC Name

2-(3,4-difluorophenyl)-1,3-dihydro-1,3,2-benzodiazaborinin-4-one

SMILES String

O=C1NB(c2ccc(F)c(F)c2)Nc2ccccc21

Names & Synonyms

H65006F570272

Catalog Overview

2-(3,4-Difluorophenyl)-2,3-dihydrobenzo[D][1,3,2]diazaborinin-4(1H)-one is an organic compound characterized by a benzodiazaborininone core substituted with a 3,4-difluorophenyl group. Its molecular formula is C13H9BF2N2O and it has a molecular weight of 258. 03. This heterocyclic structure, containing boron, nitrogen, and oxygen within the ring system, makes it a valuable functionalized intermediate.

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Read more catalog context

2-(3,4-Difluorophenyl)-2,3-dihydrobenzo[D][1,3,2]diazaborinin-4(1H)-one is an organic compound characterized by a benzodiazaborininone core substituted with a 3,4-difluorophenyl group. Its molecular formula is C13H9BF2N2O and it has a molecular weight of 258.03. This heterocyclic structure, containing boron, nitrogen, and oxygen within the ring system, makes it a valuable functionalized intermediate. Researchers may explore its utility in the synthesis of novel compounds, particularly in medicinal chemistry or materials science, where the difluorophenyl moiety and the unique boron-containing heterocycle could impart specific chemical or biological properties. It is strictly for research use only.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white powder or crystals

Physical State

Solid

Melting Point

180.0 °C

Boiling Point

350.0 °C

Density

1.35 g/cm³

Water Solubility

Slightly soluble

Flash Point

220.0 °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 (PPE) 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. In case of contact, rinse immediately with plenty of water. Consult the Safety Data Sheet (SDS) for comprehensive safety information before handling. Store in a cool, dry place, away from incompatible materials.

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