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Substance Name: Phosphoric acid, diethyl p-(methylthio)phenyl ester
RN: 3070-13-1
InChIKey: OVLXYMUBBUYUJA-UHFFFAOYSA-N

Molecular Formula

  • C11-H17-O4-P-S

Molecular Weight

  • 276.291
 
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Names and Synonyms

Synonyms

  • 4-06-00-05822 (Beilstein Handbook Reference)
  • BRN 1983915
  • NSC 132955
  • O,O-Diethyl O-(p-methylthio)phenyl phosphate

Systematic Name

  • Phosphoric acid, diethyl p-(methylthio)phenyl ester

Registry Numbers

CAS Registry Number

  • 3070-13-1

System Generated Number

  • 0003070131

Structure Descriptors

InChI

1S/C11H17O4PS/c1-4-13-16(12,14-5-2)15-10-6-8-11(17-3)9-7-10/h6-9H,4-5H2,1-3H3

InChIKey

OVLXYMUBBUYUJA-UHFFFAOYSA-N

Smiles

O=P(OCC)(OCC)Oc1ccc(SC)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 2mg/kg (2mg/kg)   Toxicology and Applied Pharmacology. Vol. 6, Pg. 78, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.79 (none)   EXP
Water Solubility 69.7 mg/L 25 EST
Vapor Pressure 1.54E-05 mm Hg 25 EST
Henry's Law Constant 4.73E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.89E-11 cm3/molecule-sec 25 EST

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