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Substance Name: Pyraclofos [ISO]
RN: 77458-01-6
InChIKey: QHGVXILFMXYDRS-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C14-H18-Cl-N2-O3-P-S

Molecular Weight

  • 360.8
 
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Names and Synonyms

Name of Substance

  • Pyraclofos [ISO]

Synonyms

  • (+-)-O-(1-(4-Chlorophenyl)-1H-pyrazol-4-yl) O-ethyl S-propyl phosphorothioate
  • (RS)-(O-1-(4-Chlorophenyl)pyrazol-4-yl-O-ethyl-S-propylphosphorothioate) (IUPAC)
  • Pyraclofos

Systematic Name

  • Phosphorothioic acid, O-(1-(4-chlorophenyl)-1H-pyrazol-4-yl) O-ethyl S-propyl ester, (+-)-

Registry Numbers

CAS Registry Number

  • 77458-01-6

System Generated Number

  • 0077458016

Structure Descriptors

InChI

1S/C14H18ClN2O3PS/c1-3-9-22-21(18,19-4-2)20-14-10-16-17(11-14)13-7-5-12(15)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3

InChIKey

QHGVXILFMXYDRS-UHFFFAOYSA-N

Smiles

c1cc(Cl)ccc1n1ncc(O[P@@](=O)(OCC)SCCC)c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 420mg/kg (420mg/kg)   Pesticide Manual. Vol. 9, Pg. 732, 1991.
rat LC50 inhalation 1460mg/m3 (1460mg/m3)   Pesticide Manual. Vol. 9, Pg. 732, 1991.
rat LD50 oral 237mg/kg (237mg/kg)   Pesticide Manual. Vol. 9, Pg. 732, 1991.
rat LD50 skin > 2gm/kg (2000mg/kg)   Pesticide Manual. Vol. 9, Pg. 732, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 3.77 (none)   EXP
Water Solubility 33 mg/L 20 EXP
Vapor Pressure 1.20E-08 mm Hg 20 EXP
Henry's Law Constant 1.73E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.12E-10 cm3/molecule-sec 25 EST

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