Noviflumuron

HCID 9828359

Notes Reactions

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Basic information

CAS: 121451-02-3
Standard SMILES: O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1F
InChIKey: YTYGAJLZOJPJGH-UHFFFAOYSA-N
Molecular formula: C17H7Cl2F9N2O3
Average molar mass: 529.1 g/mol
Monoisotopic mass: 527.96900142

Overview

Noviflumuron is a dichlorobenzene, an aromatic ether, an organofluorine compound and a benzoylurea insecticide.

Names & identifiers

Preferred name: Noviflumuron
IUPAC: N-[[3,5-dichloro-2-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
English name: NOVIFLUMURON
Molecular formula: C17H7Cl2F9N2O3
Molecular weight: 529.14

Names & synonyms

Noviflumuron121451-02-3E99C7TUW20RECRUIT IIIRECRUIT IVXDE-007DTXSID0034774CHEBI:39386Benzamide, N-(((3,5-dichloro-2-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)amino)carbonyl)-2,6-difluoro-Benzamide, N-[[[3,5-dichloro-2-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-2,6-difluoro-X-550007N-(((3,5-DICHLORO-2-FLUORO-4-(1,1,2,3,3,3-HEXAFLUOROPROPOXY)PHENYL)AMINO)CARBONYL)-2,6-DIFLUOROBENZAMIDE

Show more names

Novaluron Impurity 3C15654000 NoviflumuronNoviflumuron@100 μg/mL in Acetonitrile5-dimethylphenyl]azo-n-[3-(2-phenoxyethoxy)propyl]-benzamide,4-[[4-[[5-cyano-2,6-bis(2-methoxyethyl)-4-methyl-3-pyridinyl]azo]-2,1-[3,5-Dichloro-2-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-3-(2,6-difluorobenzoyl)ureabenzamide,n-3,5-dichloro-2-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenylaminocarbonyl-2,6-difluoro

N-({[3,5-dichloro-2-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino}carbonyl)-2,6-difluorobenzamideRefChem:166874DTXCID8014774Noviflumuron [ISO]UNII-E99C7TUW20N-[[3,5-dichloro-2-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamideN-{[3,5-dichloro-2-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamideNOVIFLUMURON [MI]

Database identifiers

CAS: 121451-02-3
PubChem CID: 9828359
DTXSID: DTXSID0034774
ChEMBL: CHEMBL1873307
ChEBI: CHEBI:39386
UNII: E99C7TUW20
EC Number: 601-779-5
Nikkaji: J1.934.201H

Properties

Computed structural properties

XLogP: 6.5
Topological polar surface area: 67.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 12
Rotatable bonds: 5
Heavy atoms: 33
Formal charge: 0
Complexity: 708

Experimental & physicochemical properties

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

Physicochemical properties

Melting point: 153 · 153-154° (Drabek); mp 156-157° (Sbragia)
Density: 1.88 at · 1.88 at 20℃
vapor pressure: 0 · 0-0Pa at 20-25℃
form: Solid:bulk
pka: 8.3 · 8.30±0.46(Predicted)
color: sandy beige
LogP: 4.94 at · 4.94 at 20℃ and pH6.77-7.95
FDA UNII: 99 C7TUW20 · E99C7TUW20
EPA Substance Registry System: Noviflumuron (121451-02-3)
Symbol(GHS): 8 · GHS08,GHS09
Signal word: Warning
Hazard statements: 410 · H410-H361-H362
Precautionary statements: 273 · P273-P391-P501-P201-P202-P281-P308+P313-P405-P501-P201-P260-P263-P264-P270-P308+P313
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H361 (90%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P260, P263, P264, P270, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 20 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 20-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24023

Hazard Classes and CategoriesRepr. 2 (90%)

Safety data

Signal word: Warning
Symbol(GHS): GHS08,GHS09
Hazard statements: H410-H361-H362
REACH Registrations: Active
Precautionary statements: P273-P391-P501-P201-P202-P281-P308+P313-P405-P501-P201-P260-P263-P264-P270-P308+P313

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationPesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics.