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53558-25-1

53558-25-1 structural image
Product Name: VACOR
Formula: C13H12N4O3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Pyriminil is a yellow, resembling corn meal. Used as a single-dose, acute rodenticide. Not registered as a pesticide in the U.S. (EPA, 1998)
Color/Form Yellow, resembles cornmeal or yellow-green powder
Melting Point Decomposes at 433 °F (EPA, 1998)
Solubility >40.8 [ug/mL] (The mean of the results at pH 7.4)
Vapor Pressure 3.39X10-9 mm Hg at 25 °C /Estimated/
LogP log Kow = 2.09 /Estimated/
Henry's Law Constant Henry's Law constant = 1.84X10-16 atm-cu m/mol at 25 °C /Estimated/
Decomposition When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Dissociation Constants pKa1 = 3.5 (pyridine ring); pKa2 = 7.6 (benzyl amide) /Estimated/
Other Experimental Properties Hydroxyl radical reaction rate constant = 1.11X10-11 cu cm/molecule-sec at 25 °C /Estimated/
Chemical Classes Pesticides -> Rodenticides

COMPUTED DESCRIPTORS

Molecular Weight 272.26 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 272.09094026 g/mol
Monoisotopic Mass 272.09094026 g/mol
Topological Polar Surface Area 99.8 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 337
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Pyriminil is a yellow, resembling corn meal. Used as a single-dose, acute rodenticide. Not registered as a pesticide in the U.S. (EPA, 1998)