6-Chloro-1,3-benzodioxole-5-carboxylic acid

CAS Registry Number®

2591-26-6
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CAS Name

6-Chloro-1,3-benzodioxole-5-carboxylic acid

Molecular Formula

C8H5ClO4

Molecular Mass

200.58

Cite this Page

6-Chloro-1,3-benzodioxole-5-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2591-26-6 (retrieved 2024-09-10) (CAS RN: 2591-26-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    202 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H5ClO4/c9-5-2-7-6(12-3-13-7)1-4(5)8(10)11/h1-2H,3H2,(H,10,11)

InChIKey

InChIKey=NDFQRSMGWGHELT-UHFFFAOYSA-N

SMILES

C(O)(=O)C=1C=C2C(=CC1Cl)OCO2

Canonical SMILES

O=C(O)C=1C=C2OCOC2=CC1Cl

Other Names for this Substance

  • 1,3-Benzodioxole-5-carboxylic acid, 6-chloro-
  • Piperonylic acid, 6-chloro-
  • 6-Chloro-1,3-benzodioxole-5-carboxylic acid
  • 2-Chloro-4,5-methylenedioxybenzoic acid