Metsulfuron-methyl

METSULFURON-METHYL · ALLY · QUIT · allie · escort · MALBAN · dpx6376 · Gropper

https://huagongshe.com/de/chemical/52999

Identifikatoren & physikalische Daten

CAS No.	2377723-88-9
Summenformel	C14H15N5O6S
Durchschnittliche Molmasse	381,37 g/mol
Monoisotopische Masse	381,0743042 g/mol
SMILES	COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1
InChIKey	RSMUVYRMZCOLBH-UHFFFAOYSA-N
PubChem CID	52999
ChEMBL	CHEMBL1229749
ChEBI	CHEBI:39678
EC No.	616-063-8
DTXSID	DTXSID6023864

Chemische & physikalische Eigenschaften

XLogP	1,5
Polarare Oberfläche (TPSA)	158
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	9
Frei drehbare Bindungen	6
Schwere Atome	26
Formalladung	0
Komplexität	609
Pestizide	Pesticide -> EPA IRISHerbicidesActive substance -> EU Pesticides database: ApprovedPesticides -> Herbicides, SulfonylureaPesticides -> Herbicides -> Urea herbicides -> Sulfonylurea herbicides
LogP (Verteilungskoeffizient)	log Kow = 2.200.93
Geruch	Faint, sweet, ester-like
Color/Form	White crytalsWhite to pale yellow solidColorless crystals
Löslichkeit	Solubility (mg/L at 25 °C): hexane 5.84X10-1, ethyl acetate 1.11X10+4, methanol 7.63X10+3, acetone 3.7X10+4, dichloromethane 1.32X10+5, toluene 1.24X10+3.In water, 9.50X10+3 mg/L at 25 °CDMSO (Slightly), Methanol (Slightly, Heated)27mg/L(temperature not stated)
Schmelzpunkt	163 °C158°C
Dampfdruck	0.000058 [mmHg]2.5X10-12 mm Hg at 25 °C
Physical Description	White solid[Merck Index] Colorless or white to pale yellow solid with a mild sweet ester-like odor[HSDB]
Stability/Shelf Life	Photolytically stable.Stable in air to about 140 °C. It is hydrolysed in acid solution, 50% loss (25 °C) occurs in 15 hr at pH 2, 33 days at pH 5, > 41 days at pH 7 and pH 9, but is more rapid at 45 °C.
Dissociation Constants	pKa = 3.8 at 20 °C
Siedepunkt	181°C (rough estimate)
Dichte	1.4561 (rough estimate)
Brechungsindex	1.6460 (estimate)
Lagerbedingungen	0-6°C
Aggregatzustand	Solid
pKa (Säurekonstante)	2.55±0.10(Predicted)
Farbe	White to Off-White
BRN	587472
Henry-Konstante	7.5×1010 mol/(m3Pa) at 25℃, HSDB (2015)
Hauptanwendungen	agricultureenvironmental
InChI	InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)
InChIKey	RSMUVYRMZCOLBH-UHFFFAOYSA-N
SMILES	C(OC)(=O)C1=CC=CC=C1S(NC(NC1=NC(OC)=NC(C)=N1)=O)(=O)=O
LogP (Verteilungskoeffizient)	2.200
CAS Datenbank	74223-64-6(CAS DataBase Reference)
EPA chemische Informationen	Metsulfuron-methyl (74223-64-6)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH400: 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)H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Regulatorische Informationen	Commission Regulation No 844/2012Metsulfuron methyl is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)00/49/EC, 2010/77/EU, Reg (EU) 2018/155, Reg. (EU) 2015/1885, Reg. (EU) 2016/139, Reg. (EU) 2023/114, Reg. (EU) 2024/324, Reg. (EU) No 540/2011Metsulfuron-methyl: Does not have an individual approval but may be used under an appropriate group standard
Gefahrenübersicht	An eye and mild skin irritantUrea-derived herbicides have low toxicity in animal feeding studies[HSDB] Systemic toxicity unlikely unless large amounts ingested[EPA Pesticides, p. 122] In a 90-day feeding study at 5000 mg/kg diet, dogs had no apparent systemic toxicity
Special Reports	Blair AM, Martin TDPestic Sci 22 (3): 195-220 (1988). A review of the activity, fate and mode of action of sulfonylurea herbicides.
FIFRA-Anforderungen	Tolerances are established for the combined residues of the herbicide metsulfuron methyl (methyl 2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]benzoate) and its metabolite methyl 2-[[[[(4-methoxy-6-methyl-1-,3,5-triazin-2-yl)amino]carbonyl]amino] sulfonyl]-4-hydroxybenzoate in or on the following raw material agricultural commodities: barley, grainbarley, haybarley, strawgrass, foddergrass, foragegrass, haysorghum, grain, foragesorghum, grain, grainsorghum, grain, stoversugarcane, canewheat, foragewheat, grainwheat, hayand wheat, straw.Tolerances are established for residues of metsulfuron methyl (methyl-2[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl) amino]carbonyl] amino]sulfonyl]benzoate) in or on the following raw agricultural commodities: cattle, fat

Anwendungen & Verwendung

Verwenden

Herbicide.