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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: ATAXIA

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
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.