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Substance Name: Penfenate
RN: 21757-82-4
InChIKey: FSGNOVKGEXRRHD-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide
  • Out-Dated Pesticide

Molecular Formula

  • C10-H7-Cl5-O2

Molecular Weight

  • 336.428
 
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Names and Synonyms

Name of Substance

  • Penfenate

Synonyms

  • 2,2,2-Trichloro-1-(3,4-dichlorophenyl)ethanol acetate
  • 3,4-Dichloro-alpha-(trichloromethyl)benzenemethyl acetate (9CI)
  • 3,4-Dichloro-alpha-(trichloromethyl)benzyl acetate (8CI)
  • 4-06-00-03052 (Beilstein Handbook Reference)
  • Acetofenate
  • AI3-29252
  • BAY meb 6046
  • Baygon MEB
  • BRN 2466230
  • EINECS 244-573-7
  • MB 6046
  • MEB-6046
  • Penfenate
  • Plifenate

Systematic Names

  • 3,4-Dichloro-alpha-(trichloromethyl)benzyl acetate
  • Benzenemethanol, 3,4-dichloro-alpha-(trichloromethyl)-, acetate
  • Benzenemethanol, 3,4-dichloro-alpha-(trichloromethyl)-, acetate (9CI)
  • Benzyl alcohol, 3,4-dichloro-alpha-(trichloromethyl)-, acetate (8CI)
  • Ethanol, 1-(3,4-dichlorophenyl)-2,2,2-trichloro-, acetate

Registry Numbers

CAS Registry Number

  • 21757-82-4

System Generated Number

  • 0021757824

Structure Descriptors

InChI

1S/C10H7Cl5O2/c1-5(16)17-9(10(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9H,1H3

InChIKey

FSGNOVKGEXRRHD-UHFFFAOYSA-N

Smiles

O(C(=O)C)[C@@H](c1ccc(c(c1)Cl)Cl)C(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral > 2500mg/kg (2500mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A336, Pg. 1983,
dog LD50 oral > 1gm/kg (1000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A336, Pg. 1983,
mouse LD50 oral > 2500mg/kg (2500mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A336, Pg. 1983,
rabbit LD50 oral > 2500mg/kg (2500mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A336, Pg. 1983,
rat LC50 inhalation > 561mg/m3/4H (561mg/m3)   Pesticide Manual. Vol. 8, Pg. 822, 1987.
rat LD50 oral 10000mg/kg (10000mg/kg)   "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revisionVol. 1, Pg. 96, 1977.
rat LD50 skin > 1gm/kg (1000mg/kg)   Pesticide Manual. Vol. 8, Pg. 822, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.92 (none)   EXP
Water Solubility 50 mg/L 20 EXP
Vapor Pressure 5.32E-05 mm Hg 25 EST
Henry's Law Constant 4.51E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.21E-12 cm3/molecule-sec 25 EST

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