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Substance Name: Diniconazole [ISO]
RN: 83657-24-3
UNII: X82HVO1N83
InChIKey: FBOUIAKEJMZPQG-AWNIVKPZSA-N

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative

Molecular Formula

  • C15-H17-Cl2-N3-O

Molecular Weight

  • 326.225
 
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Names and Synonyms

Results Name

  • Diniconazole [ISO]

Name of Substance

  • Diniconazole
  • Diniconazole [ISO]

Synonyms

  • (E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol
  • Diniconazole
  • Mixor
  • Nb (pesticide)
  • Nb 2
  • Ortho spotless
  • S-3308-10
  • S-3308L
  • Spotless
  • Sumi
  • Sumi 8-12.5WP
  • Sumi-8
  • UNII-X82HVO1N83
  • XE 779
  • XE-779 L

Systematic Names

  • 1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (betaE)-
  • 1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (E)-
  • 1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (E)-(+-)-

Registry Numbers

CAS Registry Number

  • 83657-24-3

FDA UNII

  • X82HVO1N83

Other Registry Numbers

  • 101179-53-7
  • 76714-88-0

System Generated Number

  • 0083657243

Structure Descriptors

InChI

1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+

InChIKey

FBOUIAKEJMZPQG-AWNIVKPZSA-N

Smiles

c1cc(cc(c1\C=C(/[C@@H](O)C(C)(C)C)n1ncnc1)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
quail LD50 unreported 1490mg/kg (1490mg/kg)   Defense des Vegetaux. Vol. 42(257), Pg. 17, 1989.
rat LD50 oral 474mg/kg (474mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0485-0548,
rat LD50 oral 474mg/kg (474mg/kg)   Japan Pesticide Information. Vol. (49), Pg. 18, 1986.
rat LD50 skin > 5gm/kg (5000mg/kg)   Japan Pesticide Information. Vol. (49), Pg. 18, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 148-149 deg C   EXP
log P (octanol-water) 4.3 (none)   EXP
Water Solubility 4 mg/L 25 EXP
Vapor Pressure 3.68E-05 mm Hg 25 EXP
Henry's Law Constant 3.97E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.69E-11 cm3/molecule-sec 25 EST

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