Bensulfuron-methyl
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Grundinformationen
- CAS
83055-99-6- Standard-SMILES
COC(=O)c1ccccc1CS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1- InChIKey
XMQFTWRPUQYINF-UHFFFAOYSA-N- Summenformel
- C16H18N4O7S
- Durchschnittliche Molmasse
- 410,4 g/mol
- Monoisotopische Masse
- 410,08961992
Überblick
Bensulfuron-methyl is the methyl ester of bensulfuron. An acetolactate synthase inhibitor, it is used as a herbicide for the control of a variety of both annual and perennial weeds in crops, particularly wheat and rice. It is not licensed for use within the UK. It has a role as an EC 2.2.1.6 (acetolactate synthase) inhibitor, a herbicide and an agrochemical. It is a methyl ester, an aromatic ether, a member of pyrimidines and a N-sulfonylurea. It is functionally related to a bensulfuron.
Namen und Bezeichner
- Bevorzugter Name
- Bensulfuron-methyl
- IUPAC
- methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate
- Englischer Name
- Bensulfuron methyl
- Summenformel
- C16H18N4O7S
- Molmasse
- 410.4
Namen und Synonyme
BENSULFURON-METHYL83055-99-6Bensulfuron methylMethyl bensulfuronBensulfuron methyl estermethyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoateDTXSID7024164QWL4I737BLCHEBI:3017DTXCID004164Benzoic acid, 2-((((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)-, methyl esterbensulphuron-methyl
Weitere Namen anzeigen
LONDAXmethylalpha-(4,6-dimethoxypyrimidin-2-ylcarbamoylsulfamoyl)-o-toluate2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]benzoic acid methyl esterf5384CONDAXC10937MarinerDPX-F5384ESPROCARB(R)
Benzoic acid, 2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]-, methyl estermethyl 2-((4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl)benzoatemethyl alpha-((4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl)-o-toluatemethyl alpha-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-o-toluateRefChem:9168362-((((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)benzoic acid methyl esterMethyl alpha-((4,6-dimethoxypyrimidin-2-yl)ureidosulphonyl)-o-toluatemethyl 2-(((((4,6-dimethoxypyrimidin-2-yl)carbamoyl)amino)sulfonyl)methyl)benzoate
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 154 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 627
Experimentelle und physikochemische Eigenschaften
Pesticides
Pesticide -> EPA IRIS
Pesticide (Bensulfuron methyl) -> USDA PDB
Pesticide
LogP1.37
Collision Cross Section197.8 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7024164]
Physikochemische Eigenschaften
- Schmelzpunkt
- 185 · 185-188°C
- Dichte
- 1.4087 · 1.4087 (rough estimate)
- Brechungsindex
- 1.6 · 1.6000 (estimate)
- storage temp.
- 0 · 0-6°C
- Löslichkeit
- Acetonitrile (Slightly), Dichloromethane (Slightly), DMSO (Slightly)
- Aggregatzustand
- Solid
- pka
- 12.34 · 12.34±0.70(Predicted)
- Farbe
- White to pale yellow
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Commission Regulation (EC) No 1490/2002
Bensulfuron methyl is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2889
Bensulfuron methyl: HSNO Approval: HSR005351 Approved with controls
Hazard Classes and Categories
Skin Sens. 1 (100%)
Skin Sens. 1 (100%)
Skin sensitisation - category 1
Hazardous to the aquatic environment (Acute) - Category 1
Skin Sens. 1
Toxikologische Informationen
Target OrgansHepatic
EPA IRIS Information
Londax
Hepatic
2 x 10 ^-1 mg/kg-day
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Chemie und Industrie
Verwendung und Herstellung
UsesThis is a man-made compound that is used as a pesticide.
Anwendungen
VerwendenBensulfuron methyl (BSM) was the first sulfonylurea herbicide commercialized for use in rice, and it remains the dominant sulfonylurea for broadleaf and sedge weed control in this crop.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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