Terephthalic acid

CAS Registry Number®

100-21-0
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CAS Name

Terephthalic acid

Molecular Formula

C8H6O4

Molecular Mass

166.13

Cite this Page

Terephthalic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=100-21-0 (retrieved 2024-05-28) (CAS RN: 100-21-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    402 °C (sublm)
  • Density (2)

    1.51 g/cm³

Source(s)

  • (1) International Chemical Safety Cards data were obtained from the National Institute for Occupational Safety and Health (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)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)

InChIKey

InChIKey=KKEYFWRCBNTPAC-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1,4-Benzenedicarboxylic acid
  • Terephthalic acid
  • p-Benzenedicarboxylic acid
  • p-Phthalic acid
  • WR 16262

Deleted or Replaced CAS Registry Numbers

211863-90-0, 211863-92-2, 2088100-81-4

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