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Substance Name: 4-Formylbenzoic acid
RN: 619-66-9
UNII: UES4QRK36E
InChIKey: GOUHYARYYWKXHS-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H6-O3

Molecular Weight

  • 150.1324
 
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Names and Synonyms

Name of Substance

  • 4-Carboxybenzaladehyde
  • 4-Formylbenzoic acid

Synonyms

  • 4-10-00-02752 (Beilstein Handbook Reference)
  • 4-Carboxybenzaldehyde
  • 4-Formylbenzoic acid
  • Benzoic acid, 4-formyl-
  • BRN 0471734
  • EINECS 210-607-4
  • HSDB 5719
  • NSC 15797
  • p-Carboxybenzaldehyde
  • p-Formylbenzoic acid
  • Terephthalaldehydic acid
  • Terephthaldehydic acid
  • UNII-UES4QRK36E

Systematic Names

  • 4-Formylbenzoic acid
  • Benzoic acid, 4-formyl-
  • Terephthalaldehydic acid

Superlist Name

  • Terephthalaldehydic acid

Registry Numbers

CAS Registry Number

  • 619-66-9

FDA UNII

  • UES4QRK36E

System Generated Number

  • 0000619669

Structure Descriptors

InChI

1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11)

InChIKey

GOUHYARYYWKXHS-UHFFFAOYSA-N

Smiles

c1cc(ccc1C=O)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 247 deg C   EXP
pKa Dissociation Constant 3.77 (none) 25 EXP
log P (octanol-water) 1.76 (none)   EXP
Water Solubility 2380 mg/L 25 EST
Vapor Pressure 3.75E-04 mm Hg 25 EST
Henry's Law Constant 2.70E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.78E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.