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946578-00-3

946578-00-3 structural image
Product Name: Sulfoxaflor
Formula: C10H10F3N3OS
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White powder with sharp odor; [ACGIH]
Color/Form White solid
Odor Sharp
Boiling Point 167.7 °C (decomp) (99.7% purity)
Melting Point 112 °C (99.7% purity)
Solubility In water, 809 mg/L at 25 °C
Vapor Pressure VP: 1.4X10-6 Pa at 20 °C /1.05X10-8 mm Hg/
LogP log Kow = 0.802
Henry's Law Constant Henry's Law constant = 1.2X10-11 atm-cu m/moleat 25 °C
Surface Tension 57.5 mN/m (90% saturated solution, 20 °C, 95.6% purity)
Chemical Classes Pesticides -> Other Insecticides

COMPUTED DESCRIPTORS

Molecular Weight 277.27 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 2
Exact Mass 277.04966761 g/mol
Monoisotopic Mass 277.04966761 g/mol
Topological Polar Surface Area 74.5 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 459
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

[methyl(oxido){1-[6-(trifluoromethyl)pyridin-3-yl]ethyl}-lambda(6)-sulfanylidene]cyanamide is a member of the class of pyridines that is 5-ethyl-2-trifluoromethylpyridine in which the ethyl group is substituted at position 1 by an N-cyano-S-methylsulfonimidoyl group. The insecticide sulfoxalor is a mixture of the four possible stereoisomers arising from the two tetrahedral stereocentres. It is a member of pyridines, a sulfoximide, a nitrile and an organofluorine compound.