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Substance Name: Diphenyl carbonate
RN: 102-09-0
UNII: YWV401IDYN
InChIKey: ROORDVPLFPIABK-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C13-H10-O3

Molecular Weight

  • 214.219
 
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Names and Synonyms

Name of Substance

  • Diphenyl carbonate
  • Phenyl carbonate

Synonyms

  • 4-06-00-00629 (Beilstein Handbook Reference)
  • AI3-00063
  • BRN 1074863
  • Carbonic acid, diphenyl ester
  • Diphenyl carbonate
  • EC 203-005-8
  • EINECS 203-005-8
  • HSDB 5346
  • NSC 37087
  • Phenyl carbonate
  • Phenyl carbonate ((PhO)2CO)
  • UNII-YWV401IDYN

Systematic Names

  • Carbonic acid, diphenyl ester
  • Diphenyl carbonate

Registry Numbers

CAS Registry Number

  • 102-09-0

FDA UNII

  • YWV401IDYN

Other Registry Number

  • 98287-56-0

System Generated Number

  • 0000102090

Structure Descriptors

InChI

1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H

InChIKey

ROORDVPLFPIABK-UHFFFAOYSA-N

Smiles

c1ccc(cc1)OC(=O)Oc2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1500mg/kg (1500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD National Technical Information Service. Vol. OTS0540144,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 83 deg C   EXP
Boiling Point 306 deg C   EXP
log P (octanol-water) 3.28 (none)   EXP
Water Solubility 58.4 mg/L 25 EST
Henry's Law Constant 8.48E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.02E-12 cm3/molecule-sec 25 EST

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