Halauxifen-methyl

HCID 16656802CAS 943831-98-9

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Grundinformationen

Standard-SMILES: COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1Cl
InChIKey: KDHKOPYYWOHESS-UHFFFAOYSA-N
Summenformel: C14H11Cl2FN2O3
Durchschnittliche Molmasse: 345,1 g/mol
Monoisotopische Masse: 344,01307579

Überblick

Halauxifen-methyl is a methyl ester resulting from the formal condensation of the carboxy group of halauxifen with methanol. It is a proherbicide used for the control of broad-leaved weeds in cereals and oilseed rape. It has a role as a proherbicide and a synthetic auxin. It is a monomethoxybenzene, a methyl ester, an aminopyridine, a chloropyridine, a biaryl, a member of monochlorobenzenes and a member of monofluorobenzenes. It is functionally related to a halauxifen.

Namen und Bezeichner

Bevorzugter Name: Halauxifen-methyl
IUPAC: methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
Englischer Name: Halauxifen-methyl
Summenformel: C14H11Cl2FN2O3
Molmasse: 345.15

Namen und Synonyme

Halauxifen-methyl943831-98-9ArylexHalauxifen-methyl [ISO]methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylateArylex ActiveUNII-81N578K12381N578K123methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)picolinateMethyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinecarboxylate4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid methyl esterHalauxifen methyl

Weitere Namen anzeigen

Halauxifen-methyl in AcetonitrileHalauxifen-methyl 100 μg/ml AcetonitrileHalauxifen-methyl, 100 μg/mL in Acetonitrile

2-Pyridinecarboxylic acid, 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-, methyl esterArylex; Arylex active; Halauxifen-methyl; XDE 729PixxaroQuelexhalauxiphen-methylSCHEMBL115368SCHEMBL29423657SCHEMBL29442558

Datenbank-Bezeichner

CAS: 943831-98-9
PubChem CID: 16656802
DTXSID: DTXSID50241446
ChEBI: CHEBI:143513
UNII: 81N578K123
EC Number: 695-056-1
Nikkaji: J3.337.973K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 74,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 4
Schwere Atome: 22
Formalladung: 0
Komplexität: 404

Experimentelle und physikochemische Eigenschaften

Pesticides · 3 Einträge

Agrochemicals -> Pesticide active substances

Active substance -> EU Pesticides database: Approved

Herbicides

Physikochemische Eigenschaften

Siedepunkt: 513.2 · 513.2±50.0 °C(Predicted)
Dichte: 1.436 · 1.436±0.06 g/cm3(Predicted)
Löslichkeit: Acetone (Slightly), Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka: 2.4 · 2.40±0.25(Predicted)
Aggregatzustand: Solid
Farbe: White to Light Yellow
Henry's Law Constant: 8.1 · 8.1×105 mol/(m3Pa) at 25℃, Maniere et al. (2011)
LogP: 2.95 · 2.950 (est)
EPA chemische Informationen: 2 · 2-Pyridinecarboxylic acid, 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-, methyl ester (943831-98-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H400 (68.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 103 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.