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119168-77-3

119168-77-3 structural image
Product Name: Tebufenpyrad
Formula: C18H24ClN3O
Synonyms: 4-Chloro-N-(4-tert-butylbenzyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Off-white solid; [Merck Index]
Color/Form Off-white solid
Odor Slight aromatic odor
Melting Point 64-66 °C; 61-62 °C /Technical/
Solubility In water, 2.61 mg/L at 25 °C
Density 1.0214 g/cu cm
Vapor Pressure <7.3X10-8 mm Hg at 20 °C
LogP log Kow = 4.93 at 25 °C
Decomposition When heated to decomposition it emits toxic vapors of /hydrogen chloride and nitrogen oxides/.
pH pH = 5.9 in water /Technical/; pH = 5.0 /End-use product/
Collision Cross Section 191.25 Ų [M+H]+ [CCS Type: TW]
Kovats Retention Index 2474
Chemical Classes Pesticides -> Other Insecticides

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H301:Acute toxicity,oral
H317:Sensitisation, Skin
H332:Acute toxicity,inhalation
H373:Specific target organ toxicity, repeated exposure
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P314:Get medical advice/attention if you feel unwell.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P302+P352:IF ON SKIN: wash with plenty of soap and water.

COMPUTED DESCRIPTORS

Molecular Weight 333.9 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 333.1607901 g/mol
Monoisotopic Mass 333.1607901 g/mol
Topological Polar Surface Area 46.9 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 402
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

Tebufenpyrad is a pyrazole acaricide and a pyrazole insecticide. It has a role as a mitochondrial NADH:ubiquinone reductase inhibitor.