Research chemical
CAS Number: 1257650-76-2
Product details
For laboratory research and professional procurement workflows.
PubChem CID
71310726
Exact Mass
328.98703
InChIKey
GYEGIXHWXCJNOM-UHFFFAOYSA-N
SMILES String
CN1CC(=O)OB(c2c(F)cccc2Br)OC(=O)C1
Appearance
White solid
Physical State
Solid
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
2-(2-Bromo-6-fluorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione is identified by CAS 1257650-76-2, with molecular formula C11H10BBrFNO4, molecular weight 329.92, InChIKey GYEGIXHWXCJNOM-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Melting Point
61.0 °C
Boiling Point
349.0 °C
Density
1.7 g/cm³
Water Solubility
3.89 × 10⁻³ mol/L
Flash Point
220.0 °C
Vapor Pressure
Estimated very low; unit not specified
Autoignition Temp
380.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
19
H-bond acceptors
5
H-bond donors
0
Rotatable bonds
1
Ring count
2
Aromatic rings
1
Topological polar surface area
55.84 Ų
Computed LogP
0.32
Fragment-like structure rule
No
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
Yes
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
This compound is a protected boronic acid, specifically a MIDA ester, featuring a 2-bromo-6-fluorophenyl substituent.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
This compound is intended for research use only (RUO) as a chemical building block in organic synthesis.
Documentation needs
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.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.