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Substance Name: Hexaconazole [BSI:ISO]
RN: 79983-71-4
UNII: SX9R3X1FQV
InChIKey: STMIIPIFODONDC-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative

Molecular Formula

  • C14-H17-Cl2-N3-O

Molecular Weight

  • 314.2143
 
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Names and Synonyms

Results Name

  • Hexaconazole [BSI:ISO]

Name of Substance

  • Hexaconazole

Synonyms

  • (RS)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol
  • alpha-Butyl-alpha-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol (+-)-
  • Anvil
  • Anvil (fungicide)
  • Anvil L
  • Anvil Liquid
  • Chlortriafol
  • Contaf
  • Contaf 5EC
  • EC 413-050-7
  • FD 4053
  • Hexaconazole
  • Hexaconazole [BSI:ISO]
  • PP 523
  • R 154523
  • Sitara
  • TDP
  • UNII-SX9R3X1FQV

Systematic Names

  • (RS)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol
  • 1H-1,2,4-Triazole-1-ethanol, alpha-butyl-alpha-(2,4-dichlorophenyl)-
  • 1H-1,2,4-Triazole-1-ethanol, alpha-butyl-alpha-(2,4-dichlorophenyl)-, (+-)-

Registry Numbers

CAS Registry Number

  • 79983-71-4

FDA UNII

  • SX9R3X1FQV

Other Registry Numbers

  • 103556-63-4
  • 205862-67-5
  • 87677-54-1

System Generated Number

  • 0079983714

Structure Descriptors

InChI

1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3

InChIKey

STMIIPIFODONDC-UHFFFAOYSA-N

Smiles

CCCCC(Cn1cncn1)(c2ccc(cc2Cl)Cl)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
duck LD50 oral > 4gm/kg (4000mg/kg)   Pesticide Manual. Vol. 9, Pg. 470, 1991.
rat LD50 oral 2189mg/kg (2189mg/kg)   Pesticide Manual. Vol. 9, Pg. 470, 1991.
rat LD50 skin > 2gm/kg (2000mg/kg)   Pesticide Manual. Vol. 9, Pg. 470, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 111 deg C   EXP
log P (octanol-water) 3.9 (none)   EXP
Water Solubility 17 mg/L 20 EXP
Vapor Pressure 1.35E-07 mm Hg 20 EXP
Henry's Law Constant 3.28E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.20E-11 cm3/molecule-sec 25 EST

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