Research chemical
2-(2-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CAS Number: 1257649-57-2
Product details
Identity & specification
- Molecular formula
- C11H11BBrNO4
- Molecular weight
- 311.93 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
71310655
Exact Mass
310.99645
InChIKey
OKCCXZGVZLOVRX-UHFFFAOYSA-N
SMILES String
CN1CC(=O)OB(c2ccccc2Br)OC(=O)C1
Physical Properties
Appearance
White solid
Physical State
Solid
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
Show more physical data
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.
Computed Structure Descriptors
Show calculated structure fields
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.
Catalog Facts
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.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Procurement questions
What are the key identifiers for 2-(2-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione (CAS 1257649-57-2)?
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.
Can I request a COA for CAS 1257649-57-2?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 2-(2-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1257649-57-2 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.