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Substance Name: Difenzoquat [ANSI:BSI:ISO]
RN: 49866-87-7
UNII: 54NE792QN5
InChIKey: LBGPXIPGGRQBJW-UHFFFAOYSA-N

Note

  • Quaternary ammonium cpd used as herbicide for wild oat control.

Classification Codes

  • Agricultural Chemical
  • Herbicide

Molecular Formula

  • C17-H17-N2

Molecular Weight

  • 249.3353
 
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Names and Synonyms

Results Name

  • Difenzoquat [ANSI:BSI:ISO]

Name of Substance

  • Difenzoquat
  • Difenzoquat [ANSI:BSI:ISO]

Synonyms

  • 1,2-Dimethyl-3,5-diphenyl-1H-pyrazolium
  • 1,2-Dimethyl-3,5-diphenylpyrazolium ion
  • 1H-Pyrazolium, 1,2-dimethyl-3,5-diphenyl- (9CI)
  • Difenzoquat
  • EINECS 256-505-3
  • UNII-54NE792QN5

Systematic Names

  • 1,2-Dimethyl-3,5-diphenyl-1H-pyrazolium
  • 1H-Pyrazolium, (1,2-dimethyl-3,5-diphenyl)-
  • 1H-Pyrazolium, 1,2-dimethyl-3,5-diphenyl-

Registry Numbers

CAS Registry Number

  • 49866-87-7

FDA UNII

  • 54NE792QN5

System Generated Number

  • 0049866877

Structure Descriptors

InChI

1S/C17H17N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13H,1-2H3/q+1

InChIKey

LBGPXIPGGRQBJW-UHFFFAOYSA-N

Smiles

c1(c2ccccc2)cc([n+](n1C)C)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 3540mg/kg (3540mg/kg)   Pesticide Manual. Vol. 9, Pg. 279, 1991.
rat LD50 oral 470mg/kg (470mg/kg)   Pesticide Manual. Vol. 9, Pg. 279, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.710 (none)   EST
Atmospheric OH Rate Constant 1.26E-10 cm3/molecule-sec 25 EST

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