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Substance Name: Epoxiconazole [ISO]
RN: 133855-98-8
UNII: U80T84L776
InChIKey: ZMYFCFLJBGAQRS-IAGOWNOFSA-N

Classification Codes

  • Fungicide
  • Fungicides, Industrial
  • Pesticides

Molecular Formula

  • C17-H13-Cl-F-N3-O

Molecular Weight

  • 329.7607
 
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Names and Synonyms

Name of Substance

  • Epoxiconazole
  • Epoxiconazole [ISO]

Synonyms

  • (2RS,35R)-1-(3-(2-Chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole
  • 1-((3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazole cis-(+-)-
  • BAS 480F
  • EC 406-850-2
  • Epoxiconazol
  • Epoxiconazole
  • Opal
  • Opal 7.5 EC
  • Opus
  • UNII-U80T84L776

Systematic Names

  • (2RS,3RS)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)-((1H-1,2,4-triazol-1-yl)methyl)oxirane
  • 1H-1,2,4-Triazole, 1-(((2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-, rel-
  • 1H-1,2,4-Triazole, 1-((3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-, cis-(+-)-

Registry Numbers

CAS Registry Number

  • 133855-98-8

FDA UNII

  • U80T84L776

Other Registry Numbers

  • 106325-08-0
  • 205862-63-1

System Generated Number

  • 0133855988

Structure Descriptors

InChI

1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17-/m1/s1

InChIKey

ZMYFCFLJBGAQRS-IAGOWNOFSA-N

Smiles

c1ccc(c(c1)[C@@H]2[C@@](O2)(Cn3cncn3)c4ccc(cc4)F)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 136.2 deg C   EXP
log P (octanol-water) 3.44 (none)   EXP
Water Solubility 6.63 mg/L 20 EXP
Vapor Pressure 1.10E-07 mm Hg 25 EST
Henry's Law Constant 3.98E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.78E-12 cm3/molecule-sec 25 EST

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