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Substance Name: Benzene, 1-methoxy-4-(2,2,2-trichloro-1-(4-(methylthio)phenyl)ethyl)- (9CI)
RN: 34197-16-5
InChIKey: YHDIGZDVODUGOD-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C16-H15-Cl3-O-S

Molecular Weight

  • 361.719
 
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Names and Synonyms

Synonyms

  • 2-(p-Methoxyphenyl)-2-(p-(methylthio)phenyl)-1,1,1-trichloroethane
  • AI3-29016
  • BRN 2289004
  • Methoxy-methiochlor

Systematic Names

  • Benzene, 1-methoxy-4-(2,2,2-trichloro-1-(4-(methylthio)phenyl)ethyl)- (9CI)
  • Ethane, 2-(p-methoxyphenyl)-2-(p-(methylthio)phenyl)-1,1,1-trichloro-

Registry Numbers

CAS Registry Number

  • 34197-16-5

System Generated Number

  • 0034197165

Structure Descriptors

InChI

1S/C16H15Cl3OS/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3

InChIKey

YHDIGZDVODUGOD-UHFFFAOYSA-N

Smiles

c1([C@@H](c2ccc(SC)cc2)C(Cl)(Cl)Cl)ccc(OC)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   Bulletin of the World Health Organization. Vol. 44, Pg. 363, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 6.190 (none)   EST
Water Solubility 0.027 mg/L 25 EST
Vapor Pressure 5.80E-07 mm Hg 25 EST
Henry's Law Constant 4.80E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.30E-11 cm3/molecule-sec 25 EST

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