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Substance Name: Phthalaldehydic acid
RN: 119-67-5
UNII: OAEGSO7G3Y
InChIKey: DYNFCHNNOHNJFG-UHFFFAOYSA-N

Molecular Formula

  • C8-H6-O3

Molecular Weight

  • 150.1324
 
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Names and Synonyms

Name of Substance

  • Phthalaldehydic acid

Synonyms

  • 2-Carboxybenzaldehyde
  • 2-Formylbenzoic acid
  • 4-10-00-02748 (Beilstein Handbook Reference)
  • BRN 0742381
  • EINECS 204-342-3
  • NSC 5045
  • o-Carboxybenzaldehyde
  • o-Formylbenzoic acid
  • UNII-OAEGSO7G3Y

Systematic Names

  • Benzoic acid, 2-formyl-
  • Phthalaldehydic acid

Registry Numbers

CAS Registry Number

  • 119-67-5

FDA UNII

  • OAEGSO7G3Y

System Generated Number

  • 0000119675

Structure Descriptors

InChI

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

InChIKey

DYNFCHNNOHNJFG-UHFFFAOYSA-N

Smiles

OC(=O)c1ccccc1C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4480mg/kg (4480mg/kg)   Journal of Antibiotics. Vol. 27, Pg. 665, 1974.
mouse LD50 subcutaneous 1860mg/kg (1860mg/kg)   Journal of Antibiotics. Vol. 27, Pg. 665, 1974.
rat LD50 oral 7500mg/kg (7500mg/kg)   Journal of Antibiotics. Vol. 27, Pg. 665, 1974.
rat LD50 subcutaneous 2430mg/kg (2430mg/kg)   Journal of Antibiotics. Vol. 27, Pg. 665, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 98 deg C   EXP
log P (octanol-water) 1.250 (none)   EST
Atmospheric OH Rate Constant 1.78E-11 cm3/molecule-sec 25 EST

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