Isophthalic acid

CAS Registry Number®

121-91-5
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CAS Name

Isophthalic acid

Molecular Formula

C8H6O4

Molecular Mass

166.13

Cite this Page

Isophthalic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=121-91-5 (retrieved 2024-03-04) (CAS RN: 121-91-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    100 °C
  • Melting Point (2)

    347 °C
  • Density (2)

    1.507 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  • (2) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)

InChIKey

InChIKey=QQVIHTHCMHWDBS-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1,3-Benzenedicarboxylic acid
  • Isophthalic acid
  • m-Benzenedicarboxylic acid
  • m-Phthalic acid
  • m-Dicarboxybenzene

Deleted or Replaced CAS Registry Numbers

55185-18-7, 2088100-84-7

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