538523

6-Bromo-1,4-benzodioxane

97%

• Empirical Formula (Hill Notation): C₈H₇BrO₂
• CAS Number: 52287-51-1
• Molecular Weight: 215.04
• EC Number: 257-817-2
• MDL number: MFCD00040750
• UNSPSC Code: 12352100
• PubChem Substance ID: 24878339
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• refractive index: n20/D 1.588 (lit.)
• bp: 259-260 °C (lit.)
• density: 1.598 g/mL at 25 °C (lit.)
• functional group: bromo
• SMILES string: Brc1ccc2OCCOc2c1
• InChI: 1S/C8H7BrO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4H2
• InChI key: LFCURAJBHDNUNG-UHFFFAOYSA-N

Description

General description

6-Bromo-1,4-benzodioxane is an aryl halide. It can be synthesized from 1,4-benzodioxane, via bromination with bromine in acetic acid. It undergoes alkoxycarbonylation reaction with sodium tert-butoxide in the presence of CO to yield 2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid t-butyl ester.

Application

6-Bromo-1,4-benzodioxane may be used as a starting reagent in the synthesis of chiral diphosphines (SYNPHOS and DIFLUORPHOS).

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 230.0 °F - closed cup
• Flash Point(C): 110 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves