MolGraphRequest Quote

Research chemical

2-(3-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

CAS Number: 1257531-11-5

Chemical structure
2-(3-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione molecular structure, CAS 1257531-11-5

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

71310645

Exact Mass

310.99645

InChIKey

OTMWVBFJNBHZLV-UHFFFAOYSA-N

SMILES String

CN1CC(=O)OB(c2cccc(Br)c2)OC(=O)C1

Physical Properties

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

165.0 °C

Boiling Point

400.0 °C

Density

1.45 g/cm³

Water Solubility

Slightly soluble

Flash Point

220.0 °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-(3-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione, also known as 3-Bromophenylboronic acid MIDA ester, is a protected boronic acid derivative.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

This compound is primarily employed in research as a protected boronic acid for Suzuki-Miyaura cross-coupling reactions, facilitating the regioselective incorporation of a 3-bromophenyl moiety into diverse organic structures.

Documentation needs

Always handle this research chemical with appropriate personal protective equipment, including chemical-resistant gloves, safety glasses or goggles, and a lab coat. Ensure use in a well-ventilated area or a chemical fume hood to prevent inhalation.

Applications & Classification

Research intermediateCustom synthesis building blockPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

PPE

Respiratory protection if needed

First Aid

  • Do not give anything to an unconscious person.
  • Rinse mouth with water.

Stability / Reactivity

  • Reactivity and stability.
  • Carbon monoxide, carbon dioxide, boron oxides, hydrogen bromide, nitrogen oxides.

Disposal

  • Dispose of remaining and non-recyclable solutions to a licensed company.
  • Contact a professional agency with a waste disposal license to handle this substance.
Show additional safety reference fields

Fire Fighting

  • Wear a self-contained breathing apparatus if necessary.

Accidental Release

  • Do not generate dust when collecting and disposing.
  • Sweep and shovel up.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Procurement notes

Sourcing context and documentation notes

Show details

MolGraph uses public price and availability evidence as a starting point, then confirms current stock, quotation, COA/SDS, lot specification, lead time, and shipment documentation before final acceptance.

Package and specification

Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.

Final lot confirmation

Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.

Supply documentation

Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.

Quotation review

Final quote depends on quantity, lead time, destination, and supplier confirmation.

Procurement questions

Is CAS 1257531-11-5 in stock?

2-(3-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.

How is the final price confirmed?

The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.

Can MolGraph provide COA or SDS for CAS 1257531-11-5?

Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.