Terephthalic acid[对苯二甲酸]

100-21-0

CAS Name

Terephthalic acid

Molecular Formula

C₈H₆O₄

Molecular Mass

166.13

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

Deleted or Replaced CAS Registry Numbers

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