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Substance Name: Etaconazole [BSI:ISO]
RN: 60207-93-4
UNII: 3MT15AE9VG
InChIKey: DWRKFAJEBUWTQM-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative

Molecular Formula

  • C14-H15-Cl2-N3-O2

Molecular Weight

  • 328.1975
 
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Names and Synonyms

Name of Substance

  • Etaconazole [BSI:ISO]

Synonyms

  • 1-((2-(2,4-Dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole
  • Benit
  • BRN 0834090
  • Caswell No. 321AB
  • CGA 64251
  • EINECS 262-107-0
  • EPA Pesticide Chemical Code 120501
  • Etaconazole
  • Sonax
  • UNII-3MT15AE9VG
  • Vangard

Systematic Names

  • 1-((2-(2,4-Dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole
  • 1H-1,2,4-Triazole, 1-((2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-

Registry Numbers

CAS Registry Number

  • 60207-93-4

FDA UNII

  • 3MT15AE9VG

Other Registry Number

  • 71245-23-3

System Generated Number

  • 0060207934

Structure Descriptors

InChI

1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3

InChIKey

DWRKFAJEBUWTQM-UHFFFAOYSA-N

Smiles

CCC1COC(O1)(Cn2cncn2)c3ccc(cc3Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1343mg/kg (1343mg/kg)   Pesticide Manual. Vol. 8, Pg. 344, 1987.
rat LD50 skin > 3100mg/kg (3100mg/kg)   Pesticide Manual. Vol. 8, Pg. 344, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 75-93 deg C   EXP
log P (octanol-water) 3.1 (none)   EXP
Water Solubility 80 mg/L 20 EXP
Vapor Pressure 2.34E-07 mm Hg 25 EST
Henry's Law Constant 1.02E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.48E-11 cm3/molecule-sec 25 EST

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