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122453-73-0

122453-73-0 structural image
Product Name: Chlorfenapyr
Formula: C15H11BrClF3N2O
Synonyms: 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrol-3-carbonitrile
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White solid; [Merck Index] Light tan or light yellow solid; [HSDB] White solid; [MSDSonline]
Color/Form Light tan or light yellow powdered solid
Odor Characteristic of halides and ketones
Melting Point 100-101 °C
Solubility Soluble in acetone, diethyl ether, DMSO, THF, acetonitrile, alcohols. Insoluble in water
Density 0.543 g/ml tapped bulk density
Vapor Pressure 0.00000007 [mmHg]
LogP log Kow = 4.83
Decomposition When heated to decomposition it emits toxic vapors of /hydrogen chlorid, hydrogen fluoride, and nitrogen oxides/.
pH pH = 7.16; 1% aqueous slurry at 24 °C
Collision Cross Section 190.4 Ų [M+HCOO]-
Kovats Retention Index 2218.3
Chemical Classes Pesticides -> Other Insecticides

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H331:Acute toxicity,inhalation
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P273:Avoid release to the environment.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

COMPUTED DESCRIPTORS

Molecular Weight 407.61 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 405.96954 g/mol
Monoisotopic Mass 405.96954 g/mol
Topological Polar Surface Area 38 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 448
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

Chlorfenapyr is a member of the class of pyrroles that is 4-bromo-1H-pyrrole-3-carbonitrile which is substituted at positions 1, 2 and 5 by ethoxymethyl, p-chlorophenyl and trifluoromethyl groups, respectively. A proinsecticide used for termite control and crop protection against several insects and mite pests. It has a role as a proinsecticide and a proacaricide. It is an organofluorine acaricide, an organochlorine acaricide, an organochlorine insecticide, an organofluorine insecticide, a member of monochlorobenzenes, a nitrile, a member of pyrroles and a hemiaminal ether. It is functionally related to a tralopyril.