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

CAS 2319686-59-2Formula C13H9BF2N2OMW 258.03PubChem 177929764

This compound is a functionalized intermediate featuring a 3,5-difluorophenyl group and a benzodiazaborininone core. It is intended for research and development applications in organic synthesis and medicinal chemistry.

Loading RDKit molecule structure...
InChIKey: DZTUGBYBTPNDNI-UHFFFAOYSA-NC13H9BF2N2O | MW 258.03

Chemical Identity

Molecular Formula

C13H9BF2N2O

Molecular Weight

258.03 g/mol

Exact Mass

258.077599

PubChem CID

177929764

IUPAC Name

2-(3,5-difluorophenyl)-1,3-dihydro-1,3,2-benzodiazaborinin-4-one

SMILES String

O=C1NB(c2cc(F)cc(F)c2)Nc2ccccc21

Names & Synonyms

H64998F570273

Catalog Overview

2-(3,5-Difluorophenyl)-2,3-dihydrobenzo[D][1,3,2]diazaborinin-4(1H)-one, identified by CAS 2319686-59-2 and molecular formula C13H9BF2N2O, is a functionalized organic intermediate. This compound features a 3,5-difluorophenyl group attached to a 2,3-dihydrobenzo[d][1,3,2]diazaborinin-4(1H)-one core, which is a heterocyclic system containing boron, nitrogen, and oxygen. Its unique structural characteristics make it a valuable building block for advanced synthetic chemistry, particularly in the development of novel compounds for academic and industrial research applications.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

165.0 °C

Boiling Point

380.0 °C

Density

1.4 g/cm³

Water Solubility

Slightly soluble

Flash Point

180.0 °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 chemical-resistant gloves, safety glasses or goggles, and a lab coat. Use in a well-ventilated area or a certified fume hood to prevent inhalation exposure. Avoid direct contact with skin and eyes. In case of accidental contact, rinse affected areas immediately with plenty of water and seek medical advice if irritation persists. Always consult the Safety Data Sheet (SDS) for comprehensive safety information and handling procedures before use. Store in a cool, dry place, securely sealed, and away from incompatible materials.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Similar products (text references)

2-(3,4-Difluorophenyl)-2,3-dihydrobenzo[D][1,3,2]diazaborinin-4(1H)-oneCAS 2319688-17-8
681812-07-7CAS 681812-07-7
153254-09-2CAS 153254-09-2
196083-18-8CAS 196083-18-8
1204745-88-9CAS 1204745-88-9

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293499GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.