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210880-92-5

210880-92-5 structural image
Product Name: Clothianidin
Formula: C6H8ClN5O2S
Synonyms: (E)-1-(2-Chloro-5-thiazolylmethyl)-3-methyl-2-nitroguanidine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White solid; [Merck Index] Colorless odorless solid; [HSDB] Pale yellow crystalline powder; [MSDSonline]
Color/Form Colorless powder
Odor Odorless
Melting Point 176.8 °C
Solubility In water, 0.304 (pH 4), 0.340 (pH 10) (both g/L, 20 °C)
Density 1.61 g/cu cm at 20 °C
Vapor Pressure 1.3X10-7 mPa (9.8X10-10 mm Hg) at 25 °C
LogP log Kow = 0.7 at 25 deg
Henry's Law Constant Henry's Law constant = 2.9X10-16 atm-cu m/mol at 20 °C
Stability/Shelf Life Stable under recommended storage conditions.
Decomposition Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx), sulfur oxides, hydrogen chloride gas.
pH pH = 6.24 at 23 °C
Dissociation Constants pKa = 11.09 at 20 °C
Chemical Classes Pesticides -> Insecticides, Neonicotinoid

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 249.68 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 249.0087234 g/mol
Monoisotopic Mass 249.0087234 g/mol
Topological Polar Surface Area 123 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 258
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(E)-clothianidin is a clothiadin that has E configuration at the C=N bond of the nitroguanidine moiety. It has a role as a neonicotinoid insectide.