Methyl-2-[[[[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoat

Sulfometuron-methyl

HCID 52997CAS 74222-97-2

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Grundinformationen

Standard-SMILES: COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1
InChIKey: ZDXMLEQEMNLCQG-UHFFFAOYSA-N
Summenformel: C15H16N4O5S
Durchschnittliche Molmasse: 364,4 g/mol
Monoisotopische Masse: 364,0841408

Namen und Bezeichner

Bevorzugter Name: Sulfometuron-methyl
IUPAC: methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate
Lokaler Name: Methyl-2-[[[[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoat
Englischer Name: Sulfometuron-methyl
Summenformel: C15H16N4O5S
Molmasse: 364.38

Namen und Synonyme

sulfometuron-methylSULFOMETURON METHYL74222-97-2OUSTDTXSID0034936methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoateJLY5D60J1ADPX-5648CHEBI:9348DTXCID8014936Benzoic acid, 2-(((((4,6-dimethyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl esterBenzoic acid, 2-[[[[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-, methyl ester

Weitere Namen anzeigen

aa5648Oust[R]dpx5648Oust 75DFOust(Du Pont)Sulfometuron-msulfometuron-me

methyl 2-((4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl)benzoateRefChem:889579277-780-6DPX-T5648Sulfometuron methyl esterCaswell No. 561DAa 5648Sulfometuron-methyl [ISO]

Datenbank-Bezeichner

CAS: 74222-97-2
PubChem CID: 52997
DTXSID: DTXSID0034936
ChEMBL: CHEMBL513261
ChEBI: CHEBI:9348
UNII: JLY5D60J1A
EC Number: 277-780-6
Nikkaji: J21.691G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 136 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 5
Schwere Atome: 25
Formalladung: 0
Komplexität: 581

Physikochemische Eigenschaften

Schmelzpunkt: 203 · 203-205°C
Siedepunkt: 197 °C · 197°C (rough estimate)
Dichte: 1.48 · 1.48
Brechungsindex: 1.6 · 1.6000 (estimate)
pka: 5.7 · 5.7(at 25℃)
Henry's Law Constant: 8.2 · 8.2×1012 mol/(m3Pa) at 25℃, Armbrust (2000)
Major Application: agricultureenvironmental
InChI: 1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21)
InChIKey: ZDXMLEQEMNLCQG-UHFFFAOYSA-N
SMILES: COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2
CAS Datenbank: 74222 · 74222-97-2(CAS DataBase Reference)
EPA chemische Informationen: Sulfometuron methyl (74222-97-2)

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: 2
ridadr: UN3077 9/PG 3
RTECS-Nr.: DG9096550
risk_code: 50
Toxizität: LD50 in male, female rats (mg/kg): >5000, >5000 orally (Harding)
hazard_code: N
safety_code: 61
Speicherklasse: 11 - Combustible Solids
Giftige Stoffe Daten: 74222-97-2(Hazardous Substances Data)
Hazard Classifications: Aquatic Acute 1

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenMetsulfuron-methyl is a sulfonylurea herbicide that inhibits the synthesis of branched-chain amino acids, thereby inhibiting cell division at the growing tips of plants, preventing the growth of weeds, and leading to chlorosis and necrosis. It is suitable for the control of annual and perennial grass weeds and broadleaf weeds in forestry.

Darstellung

synthetischeSulfometuron-methyl is produced by reaction of 2-sulfonylisocyanate methylbenzoate with 2-amino-4,6-dimethylpyrimidine.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter50 Anbieter

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

湖北博杰生物科技有限公司0713-2060728 15629612610

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: Sulfometuron methyl is a benzoate ester that is the methyl ester of 2-{[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoic acid. It has a role as a herbicide and an EC 2.2.1.6 (acetolactate synthase) inhibitor. It is a member of pyrimidines, a benzoate ester and a N-sulfonylurea. It is functionally related to a sulfometuron.