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Substance Name: Bromuconazole [ISO]
RN: 116255-48-2
UNII: PHS29ZMZ81
InChIKey: HJJVPARKXDDIQD-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Fungicide
  • Fungicide, Bactericide, Wood Preservative

Molecular Formula

  • C13-H12-Br-Cl2-N3-O

Molecular Weight

  • 377.0678
 
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Names and Synonyms

Name of Substance

  • Bromuconazole [ISO]

Synonyms

  • 1-((2RS,4RS,2RS,4SR)-4-Bromo-2-(2,4-dichlorophenyl)tetrahydrofurfuryl)-1H-1,2,4-triazole
  • 1-((4-Bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-1H-1,2,4-triazole
  • Bromuconazole
  • CHIPCO' Bromuconazole
  • HSDB 7419
  • UNII-PHS29ZMZ81

Systematic Name

  • 1H-1,2,4-Triazole, 1-((4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-

Registry Numbers

CAS Registry Number

  • 116255-48-2

FDA UNII

  • PHS29ZMZ81

System Generated Number

  • 0116255482

Structure Descriptors

InChI

1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2

InChIKey

HJJVPARKXDDIQD-UHFFFAOYSA-N

Smiles

c1cc(c(cc1Cl)Cl)C2(CC(CO2)Br)Cn3cncn3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
duck LD50 oral > 2150mg/kg (2150mg/kg)   Pesticide Manual. Vol. 9, Pg. 1140, 1991.
mouse LD50 oral 1151mg/kg (1151mg/kg)   Pesticide Manual. Vol. 9, Pg. 1140, 1991.
quail LD50 oral > 2150mg/kg (2150mg/kg)   Pesticide Manual. Vol. 9, Pg. 1140, 1991.
rabbit LC50 inhalation > 5gm/m3 (5000mg/m3)   Pesticide Manual. Vol. 9, Pg. 1140, 1991.
rat LD50 oral 365mg/kg (365mg/kg)   Pesticide Manual. Vol. 9, Pg. 1140, 1991.
rat LD50 skin > 2gm/kg (2000mg/kg)   Pesticide Manual. Vol. 9, Pg. 1140, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 84 deg C   EXP
log P (octanol-water) 3.24 (none)   EXP
Water Solubility 50 mg/L 25 EXP
Vapor Pressure 3.00E-08 mm Hg 25 EXP
Henry's Law Constant 2.99E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.66E-12 cm3/molecule-sec 25 EST

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