Research chemical
CAS Number: 1257649-57-2
Product details
For laboratory research and professional procurement workflows.
PubChem CID
71310655
Exact Mass
310.99645
InChIKey
OKCCXZGVZLOVRX-UHFFFAOYSA-N
SMILES String
CN1CC(=O)OB(c2ccccc2Br)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-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione is identified by CAS 1257649-57-2, with molecular formula C11H11BBrNO4, molecular weight 311.93, InChIKey OKCCXZGVZLOVRX-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
110.0 °C
Boiling Point
346.0 °C
Density
1.5 g/cm³
Water Solubility
1.58 × 10⁻³ mol/L
Flash Point
230.0 °C
Vapor Pressure
Estimated very low; unit not specified
Autoignition Temp
450.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
18
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
0.18
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
2-(2-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione, also known as 2-Bromophenylboronic acid MIDA ester, is a functionalized intermediate primarily used in organic synthesis.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
This compound is primarily utilized in research and development as a chemical building block in organic synthesis.
Documentation needs
For research use only. Handle 2-(2-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.
DSL: pending; AICS: pending; ENCS: pending; ICSR: pending; TSCA: pending; IECSC: pending; INSQR: pending; REACH: pending; K-REACH: pending; SEA_Regulatory: pending
Registration values are catalog reference status cues and may require jurisdiction-specific review.