6-Bromo-1,3-benzodioxole-4-carboxylic acid

CAS Registry Number®

72744-57-1

CAS Name

6-Bromo-1,3-benzodioxole-4-carboxylic acid

Molecular Formula

C8H5BrO4

Molecular Mass

245.03

Cite this Page

6-Bromo-1,3-benzodioxole-4-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72744-57-1 (retrieved 2024-11-22) (CAS RN: 72744-57-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    205-206 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C8H5BrO4/c9-4-1-5(8(10)11)7-6(2-4)12-3-13-7/h1-2H,3H2,(H,10,11)

InChIKey

InChIKey=QLRIAHYAWFMMSW-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C2C(=CC(Br)=C1)OCO2

Canonical SMILES

O=C(O)C=1C=C(Br)C=C2OCOC21

Other Names for this Substance

  • 1,3-Benzodioxole-4-carboxylic acid, 6-bromo-
  • 6-Bromo-1,3-benzodioxole-4-carboxylic acid