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Substance Name: Diphenylacetic acid
RN: 117-34-0
UNII: 658NCZ0NKO
InChIKey: PYHXGXCGESYPCW-UHFFFAOYSA-N

Molecular Formula

  • C14-H12-O2

Molecular Weight

  • 212.247
 
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Names and Synonyms

Name of Substance

  • Diphenylacetic acid

Synonyms

  • 1,1-Diphenylacetic acid
  • 4-09-00-02492 (Beilstein Handbook Reference)
  • AI3-23777
  • alpha-Toluic acid, alpha-phenyl-
  • BRN 1910978
  • Diphenylacetic acid
  • Diphenylethanoic acid
  • EINECS 204-185-0
  • NSC 120417
  • UNII-658NCZ0NKO

Systematic Names

  • Acetic acid, diphenyl-
  • Benzeneacetic acid, alpha-phenyl-
  • Diphenylacetic acid

Registry Numbers

CAS Registry Number

  • 117-34-0

FDA UNII

  • 658NCZ0NKO

System Generated Number

  • 0000117340

Structure Descriptors

InChI

1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)

InChIKey

PYHXGXCGESYPCW-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Farmaco, Edizione Scientifica. Vol. 13, Pg. 286, 1958.
mouse LD50 oral 3200mg/kg (3200mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ATAXIA
Gigiena Naselennykh Mest. Hygiene in Populated Places. Vol. 17, Pg. 48, 1978.
mouse LD50 subcutaneous 400mg/kg (400mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958.
rat LD50 oral 5540mg/kg (5540mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ATAXIA
Gigiena Naselennykh Mest. Hygiene in Populated Places. Vol. 17, Pg. 48, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 147 deg C   EXP
pKa Dissociation Constant 3.94 (none) 25 EXP
log P (octanol-water) 3.09 (none)   EXP
Water Solubility 127 mg/L 25 EXP
Vapor Pressure 9.63E-06 mm Hg 25 EST
Henry's Law Constant 3.57E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.12E-11 cm3/molecule-sec 25 EST

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