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
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.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
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
EstimatedEstimated / 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
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 (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.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related products and analog discovery will be available as catalog graph data is expanded.