ChemicalBook CAS DataBase List 122454-29-9

122454-29-9

Name	4-Bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
CAS	122454-29-9
Molecular Formula	C12H5BrClF3N2
MDL Number	MFCD13184274
Molecular Weight	349.53
MOL File	122454-29-9.mol

Chemical Properties

Boiling point	450.6±45.0 °C(Predicted)
density	1.78±0.1 g/cm3(Predicted)
pka	10.24±0.50(Predicted)
Henry's Law Constant	4.5×10³ mol/(m³Pa) at 25℃, Ebert et al. (2023)
InChI	InChI=1S/C12H5BrClF3N2/c13-9-8(5-18)10(19-11(9)12(15,16)17)6-1-3-7(14)4-2-6/h1-4,19H
InChIKey	XNFIRYXKTXAHAC-UHFFFAOYSA-N
SMILES	N1C(C(F)(F)F)=C(Br)C(C#N)=C1C1=CC=C(Cl)C=C1
EPA Substance Registry System	4-Bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile (122454-29-9)

Safety Data

Symbol(GHS)	GHS09
Signal word	Warning
Hazard statements	H410
Precautionary statements	P273-P391-P501
Hazard Codes	N
Risk Statements	50/53 less more
Safety Statements	60-61 less more

Hazard Information

Uses

N-Deethoxymethyl Chlorfenapyr is a primary metabolite of Chlorfenapyr (C428500). Chlorfenapyr is a halogenated pyrrole based pro-insecticide. Chlorfenapyr functions by metabolizing into an active insecticide after entering the host. Chlorfenapyr is used primarily as a means of pest control on cotton.

Application

Tralopyril was developed as a marine antifouling agent for use in antifouling coatings. The compound has been registered with the US EPA since 2007. Since then, a range of marine coatings have been developed utilizing tralopyril for control of barnacles and other invertebrate animal fouling organisms, frequently, but not exclusively, in combination with a soft fouling control agent.

Definition

ChEBI: Tralopyril is a pyrrole resulting from the N-dealkylation of the ethoxymethyl group of chlorfenapyr. It is the active insecticide of the proinsecticide chlorfenapyr. It has a role as an acaricide, an insecticide and an antifouling biocide. It is an organochlorine acaricide, an organochlorine insecticide, an organofluorine acaricide, an organofluorine insecticide, a member of pyrroles, a nitrile, a member of monochlorobenzenes and an organobromine compound.

Mechanism of action

Acts by disrupting mitochondrial function, leading to energy depletion and cell death in target pests

Synthesis

Tralopyril is a pyrrole resulting from the N-dealkylation of the ethoxymethyl group of chlorfenapyr.

Pesticide Type

Insecticide; Acaricide; Molluscicide; Metabolite

Questions And Answer

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