CAS 110956-75-7 Pentoxazone (HCID 11714234)

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Grundinformationen

CAS: 110956-75-7
Standard-SMILES: CC(C)=C1OC(=O)N(c2cc(OC3CCCC3)c(Cl)cc2F)C1=O
InChIKey: JZPKLLLUDLHCEL-UHFFFAOYSA-N
Summenformel: C17H17ClFNO4
Durchschnittliche Molmasse: 353,8 g/mol
Monoisotopische Masse: 353,08301392

Überblick

Pentoxazone is an oxazolidinone that is 1,3-oxazolidine-2,4-dione which is substituted on the nitrogen (position 3) by a 4-chloro-5-(cyclopentyloxy)-2-fluorophenyl group, and at position 5 by an isopropylidene group. A protoporphyrinogen oxidase inhibitor, it is used as a pre- and post-emergence herbicide to control weeds in rice. It has a role as a herbicide, an agrochemical and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is an aromatic ether, an oxazolidinone, a member of monochlorobenzenes and a member of monofluorobenzenes.

Namen und Bezeichner

Bevorzugter Name: Pentoxazone
IUPAC: 3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
Englischer Name: PENTOXAZONE
Summenformel: C17H17ClFNO4
Molmasse: 353.77

Namen und Synonyme

Pentoxazone110956-75-7Pentoxazone [ISO]UNII-8LW0PP7NLI8LW0PP7NLIDTXSID3057933CHEBI:818523-[4-chloro-5-(cyclopentyloxy)-2-fluorophenyl]-5-(propan-2-ylidene)-1,3-oxazolidine-2,4-dione3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-isopropylidene-1,3-oxazolidine-2,4-dione3-[4-chloro-5-(cyclopentyloxy)-2-fluorophenyl]-5-(1-methylethylidene)-2,4-oxazolidinedione3-[4-chloro-5-(cyclopentyloxy)-2-fluorophenyl]-5-isopropylidene-1,3-oxazolidine-2,4-dione3-(4-CHLORO-5-(CYCLOPENTYLOXY)-2-FLUOROPHENYL)-5-(1-METHYLETHYLIDENE)-2,4-OXAZOLIDINEDIONE

Weitere Namen anzeigen

kpp-314PENTOXAZONE STANDARDC15981770 PentoxazoneAzafenidin Impurity 4pentoxazone (bsi, pa iso)Pentoxazone 100 μg/mL in AcetonitrilePentoxazone Solution in Methanol, 1000μg/mL3-(2'-fluoro-4'-chloro-5'-cyclopentyloxyphenyl)-5-isopropyliden-1,3-oxazolidine-2,4-dione

3-(4-chloro-5-(cyclopentyloxy)-2-fluorophenyl)-5-isopropylidene-1,3-oxazolidine-2,4-dione3-(4-chloro-5-(cyclopentyloxy)-2-fluorophenyl)-5-(propan-2-ylidene)-1,3-oxazolidine-2,4-dioneRefChem:171500DTXCID10317013-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dioneSCHEMBL38904orb3211383CHEMBL2269481

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,7
Polarare Oberfläche (TPSA): 55,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 24
Formalladung: 0
Komplexität: 557

Experimentelle und physikochemische Eigenschaften

Pesticides · 2 Einträge

Herbicides

Active substance -> EU Pesticides database: Not approved

Physikochemische Eigenschaften

Schmelzpunkt: 98 · 98-100℃
Siedepunkt: 463.3 · 463.3±55.0 °C(Predicted)
Dichte: 1.388 · 1.388
storage temp.: 0 · 0-6°C
pka: -2.19 · -2.19±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P264, P270, P271, P280, P301+P317, P304+P340, P308+P316, P318, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)