5-Chloro-1,3-benzenedicarboxylic acid

CAS Registry Number®

2157-39-3
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CAS Name

5-Chloro-1,3-benzenedicarboxylic acid

Molecular Formula

C8H5ClO4

Molecular Mass

200.58

Cite this Page

5-Chloro-1,3-benzenedicarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2157-39-3 (retrieved 2024-09-07) (CAS RN: 2157-39-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    279-280 °C

Source(s)

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

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=PLPFTLXIQQYOMW-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC(C(O)=O)=CC(Cl)=C1

Canonical SMILES

O=C(O)C1=CC(Cl)=CC(=C1)C(=O)O

Other Names for this Substance

  • 1,3-Benzenedicarboxylic acid, 5-chloro-
  • Isophthalic acid, 5-chloro-
  • 5-Chloro-1,3-benzenedicarboxylic acid
  • 5-Chloroisophthalic acid
  • 3-Carboxy-5-chlorobenzoic acid

Deleted or Replaced CAS Registry Numbers

2757338-07-9