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

CAS 1604722-17-9Formula C11H11BClNO4MW 267.47PubChem 75176039

This compound is a functionalized intermediate featuring a 3-chlorophenyl group and a 6-methyl-1,3,6,2-dioxazaborocane-4,8-dione ring system. It is primarily utilized in organic synthesis as a versatile building block for research and development applications.

Loading RDKit molecule structure...
InChIKey: MFTTTXKHIMZGGS-UHFFFAOYSA-NC11H11BClNO4 | MW 267.47

Chemical Identity

Molecular Formula

C11H11BClNO4

Molecular Weight

267.47 g/mol

Exact Mass

267.046966

PubChem CID

75176039

SMILES String

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

Names & Synonyms

891-877-6Z2418414344
External Identifiers
RefChem:455411MFCD27957324AKOS022168238AS-2870NCGC00662755-01EN300-250987

Catalog Overview

2-(3-Chlorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione, identified by CAS 1604722-17-9, is a functionalized organic intermediate. Its molecular structure features a 3-chlorophenyl group linked to a 6-methyl-1,3,6,2-dioxazaborocane-4,8-dione ring system. This compound is primarily intended for research and development purposes, serving as a versatile building block in complex organic synthesis, particularly where boron-containing functionalities are desired. It is suitable for various synthetic methodologies in academic and industrial research settings.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White solid

Physical State

Solid

Melting Point

106.0 °C

Boiling Point

334.0 °C

Density

1.4 g/cm³

Water Solubility

6.92 × 10⁻³ mol/L

Flash Point

170.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • For research use only. Handle with appropriate personal protective equipment, including chemical-resistant gloves, safety glasses or goggles, and a lab coat. Ensure adequate ventilation or use in a fume hood to prevent inhalation. Avoid direct contact with skin and eyes. Consult the Safety Data Sheet (SDS) for comprehensive hazard information, first-aid measures, and safe handling, storage, and disposal procedures. Store in a cool, dry place, away from incompatible materials.

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