CAS 26244-33-7 Ethofumesate-2-keto (HCID 590774)

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 26244-33-7
Standard-SMILES: CC1(C)C(=O)Oc2ccc(OS(C)(=O)=O)cc21
InChIKey: CXWYCAYNZXSHTF-UHFFFAOYSA-N
Summenformel: C11H12O5S
Durchschnittliche Molmasse: 256,28 g/mol
Monoisotopische Masse: 256,04054465

Namen und Bezeichner

Bevorzugter Name: Ethofumesate-2-keto
IUPAC: (3,3-dimethyl-2-oxo-1-benzofuran-5-yl) methanesulfonate
Englischer Name: ETHOFUMESATE-2-KETO
Summenformel: C11H12O5S
Molmasse: 256.27

Namen und Synonyme

Ethofumesate-2-keto26244-33-7CHEBI:83510DTXSID90343594RefChem:1084632DTXCID30294672(3,3-dimethyl-2-oxo-1-benzofuran-5-yl) methanesulfonate3,3-Dimethyl-2-oxo-2,3-dihydrobenzofuran-5-yl methanesulfonate3,3-Dimethyl-2-oxo-2,3-dihydro-1-benzofuran-5-yl methanesulfonate2-Keto ethofumesate2(3H)-Benzofuranone, 3,3-dimethyl-5-[(methylsulfonyl)oxy]-SCHEMBL11258896

Weitere Namen anzeigen

EthofumesateImpurity1Ethofumesate-2-keto 10.0 μg/ml CyclohexaneEthofumesate-2-keto 10 μg/mL in CyclohexaneEthofumesate Impurity 1 (Ethofumesate-2-keto)3,3-Dimethyl-5-[(methylsulfonyl)oxy]-2(3H)-benzofuranone2,3-dihydro-3-3-dimethyl-2-oxo-5-benzofuranylmethanesulfonate(S)-Cyano(3-phenoxyphenyl)methyl (1S,3S)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-1-carboxylateMethane sulfonic acid 3,3-dimethyl-2-oxo-2,3-dihydrobenzofuran-5-yl ester, 3,3-Dimethyl-2-oxo-2,3-dihydrobenzofurane-5-yl methane sulfonate

ethofumesate 2-keto (NC 9607)2(3H)-Benzofuranone, 5-hydroxy-3,3-dimethyl-, methanesulfonateBBA24433MFCD01632378MSK22222-100ANS00004001EN300-298049Ethofumesate-2-keto 10 |Ig/mL in Cyclohexane

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 78,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 17
Formalladung: 0
Komplexität: 420

Physikochemische Eigenschaften

Siedepunkt: 396.9 · 396.9±42.0 °C(Predicted)
Dichte: 1.352 · 1.352±0.06 g/cm3(Predicted)
Major Application: agricultureenvironmental
InChI: 1S/C11H12O5S/c1-11(2)8-6-7(16-17(3,13)14)4-5-9(8)15-10(11)12/h4-6H,1-3H3
InChIKey: CXWYCAYNZXSHTF-UHFFFAOYSA-N
SMILES: CC1(C)C(=O)Oc2ccc(OS(C)(=O)=O)cc12

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: 3
ridadr: UN3077 9/PG 3
risk_code: 51/53
hazard_code: N
safety_code: 61
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenEthofumesate-2-keto is a sulfinated benzofuran compound. It is the major product of the degradation products that were found after applying Ethofumesate (E895103(P)) to dry soil. A herbicide. It is also an intermediate in the synthesis of HMSPP (H115020), a metabolite of Ethofumesate.