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Substance Name: Diphenylcarboxylate
RN: 93-99-2
UNII: B8A3WVZ590
InChIKey: FCJSHPDYVMKCHI-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Nematocide

Molecular Formula

  • C13-H10-O2

Molecular Weight

  • 198.22
 
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Names and Synonyms

Name of Substance

  • Diphenylcarboxylate

Synonyms

  • 4-09-00-00303 (Beilstein Handbook Reference)
  • AI3-04731
  • BRN 1566346
  • EINECS 202-293-2
  • NSC 37086
  • Phenyl benzoate
  • UNII-B8A3WVZ590

Systematic Names

  • Benzoic acid, phenyl ester
  • Phenol, benzoate (7CI)
  • Phenyl benzoate

Registry Numbers

CAS Registry Number

  • 93-99-2

FDA UNII

  • B8A3WVZ590

System Generated Number

  • 0000093992

Structure Descriptors

InChI

1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H

InChIKey

FCJSHPDYVMKCHI-UHFFFAOYSA-N

Smiles

c1(C(Oc2ccccc2)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1225mg/kg (1225mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 1179, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 71 deg C   EXP
Boiling Point 314 deg C   EXP
log P (octanol-water) 3.59 (none)   EXP
Water Solubility 38.4 mg/L 25 EST
Henry's Law Constant 1.28E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.79E-12 cm3/molecule-sec 25 EST

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