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Substance Name: Fluazolate [ISO:BSI]
RN: 174514-07-9
UNII: KJX9P1E61K
InChIKey: FKLQIONHGSFYJY-UHFFFAOYSA-N

Molecular Formula

  • C15-H12-Br-Cl-F4 N2-O2

Molecular Weight

  • 443.6208
 
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Names and Synonyms

Name of Substance

  • 5-(4-Bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzoic acid isopropyl ester
  • Fluazolate [ISO:BSI]

Synonyms

  • Fluazolate
  • Isopropazol
  • isopropyl 5-(4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzoate
  • JV 485
  • MON 48500
  • UNII-KJX9P1E61K

Systematic Name

  • Benzoic acid, 5-(4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-2-chloro-4-fluoro-, 1-methylethyl ester

Registry Numbers

CAS Registry Number

  • 174514-07-9

FDA UNII

  • KJX9P1E61K

System Generated Number

  • 0174514079

Structure Descriptors

InChI

1S/C15H12BrClF4N2O2/c1-6(2)25-14(24)7-4-8(10(18)5-9(7)17)12-11(16)13(15(19,20)21)23(3)22-12/h4-6H,1-3H3

InChIKey

FKLQIONHGSFYJY-UHFFFAOYSA-N

Smiles

CC(C)OC(=O)c1cc(c(cc1Cl)F)c2c(c(n(n2)C)C(F)(F)F)Br

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 80 deg C   EXP
log P (octanol-water) 5.810 (none)   EST
Water Solubility 0.053 mg/L 20 EXP
Vapor Pressure 7.07E-08 mm Hg 20 EXP
Henry's Law Constant 7.79E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.06E-11 cm3/molecule-sec 25 EST

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