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Substance Name: Penconazole [BSI:ISO]
RN: 66246-88-6
UNII: 3UN9F9ZJ43
InChIKey: WKBPZYKAUNRMKP-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Fungicides, Industrial
  • Pesticides

Molecular Formula

  • C13-H15-Cl2-N3

Molecular Weight

  • 284.1885
 
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Names and Synonyms

Results Name

  • Penconazole [BSI:ISO]

Name of Substance

  • Penconazole
  • Penconazole [BSI:ISO]

Synonyms

  • 1-(2-(2,4-Dichlorophenyl)pentyl)-1H-1,2,4-triazole
  • 5-26-01-00149 (Beilstein Handbook Reference)
  • BRN 0541488
  • CGA 71818
  • EINECS 266-275-6
  • Onmex
  • Penconazole
  • Topas C
  • Topas MZ
  • Topaze
  • Topaze C
  • UNII-3UN9F9ZJ43

Systematic Names

  • 1-(2-(2,4-Dichlorophenyl)pentyl)-1H-1,2,4-triazole
  • 1H-1,2,4-Triazole, 1-(2-(2,4-dichlorophenyl)pentyl)-

Registry Numbers

CAS Registry Number

  • 66246-88-6

FDA UNII

  • 3UN9F9ZJ43

Other Registry Number

  • 87501-25-5

System Generated Number

  • 0066246886

Structure Descriptors

InChI

1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3

InChIKey

WKBPZYKAUNRMKP-UHFFFAOYSA-N

Smiles

CCCC(Cn1cncn1)c2ccc(cc2Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2444mg/kg (2444mg/kg)   Defense des Vegetaux. Vol. 38, Pg. 195, 1984.
rat LD50 oral 2125mg/kg (2125mg/kg)   Pesticide Manual. Vol. 9, Pg. 554, 1991.
rat LD50 skin > 3gm/kg (3000mg/kg)   Defense des Vegetaux. Vol. 38, Pg. 195, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 58.5 deg C   EXP
pKa Dissociation Constant 1.51 (none)   EXP
Water Solubility 73 mg/L 20 EXP
Vapor Pressure 2.78E-06 mm Hg 25 EXP
Henry's Law Constant 1.42E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.07E-12 cm3/molecule-sec 25 EST

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