Oxadixyl
Grundinformationen
- CAS
77732-09-3- Standard-SMILES
COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O- InChIKey
UWVQIROCRJWDKL-UHFFFAOYSA-N- Summenformel
- C14H18N2O4
- Durchschnittliche Molmasse
- 278,3 g/mol
- Monoisotopische Masse
- 278,12665706
Überblick
Oxadixyl is an oxazolidinone that is N-(2,6-dimethylphenyl)-2-methoxyacetamide in which the amide hydrogen is replaced by a 2-oxo-1,3-oxazolidin-3-yl group. A systemic fungicide used to treat seeds of a variety of food crops, as well as lawns. It has a role as an agrochemical. It is an ether, a carbohydrazide, an oxazolidinone, an aromatic amide and an anilide fungicide.
Namen und Bezeichner
- Bevorzugter Name
- Oxadixyl
- IUPAC
- N-(2,6-dimethylphenyl)-2-methoxy-N-(2-oxo-1,3-oxazolidin-3-yl)acetamide
- Englischer Name
- Oxadixyl
- Summenformel
- C14H18N2O4
- Molmasse
- 278.3
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
77732-09-3- PubChem CID
- 53735
- DTXSID
DTXSID2032631- ChEMBL
CHEMBL1864998- ChEBI
CHEBI:81937- UNII
- 236CMA8A12
- EC Number
- 616-492-0
- Nikkaji
- J364.556H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 59,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 364
Experimentelle und physikochemische Eigenschaften
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
Pesticides -> Fungicides
Fungicides
Pesticide (Oxadixyl) -> USDA PDB
Collision Cross Section
167.1 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2032631]
156.19 Ų [M]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]
158.81 Ų [M+H]+
Physikochemische Eigenschaften
- Schmelzpunkt
- 104 · 104-105 °C
- Siedepunkt
- 421.12 °C · 421.12°C (rough estimate)
- Dichte
- 1.1674 · 1.1674 (rough estimate)
- Brechungsindex
- 1.55 · 1.5500 (estimate)
- Flammpunkt
- 100 °C · >100 °C
- storage temp.
- 0 · 0-6°C
- pka
- 1.16 · 1.16±0.20(Predicted)
- Wasserlöslichkeit
- 3.4 mg/L · 3.4 mg/L at 25 ºC
- Merck
- 13 · 13,6976
- BRN
- 7098783 · 7098783
- Henry's Law Constant
- 2 · 2.0×106 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- Major Application
- agricultureenvironmental
- InChI
- 1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3
- InChIKey
- UWVQIROCRJWDKL-UHFFFAOYSA-N
- SMILES
- COCC(=O)N(N1CCOC1=O)c2c(C)cccc2C
- LogP
- 0.8 · 0.800
- CAS Datenbank
- 77732 · 77732-09-3(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Acetamide, n-(2,6-dimethylphenyl)-2-methoxy-n-(2-oxo-3-oxazolidinyl)-(77732-09-3)
- EPA chemische Informationen
- Oxadixyl (77732-09-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 76 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
2002/2076
Oxadixyl: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
Causes changes in liver weight, other liver changes, and weight loss in 2-year oral study of rats; [RTECS] Harmful by ingestion, inhalation, and skin absorption; Vapors and/or dust can cause eye injury on repeated exposure; [Dr. Ehrenstorfer GmbH MSDS]
Sicherheitsdaten
- wgk
- 3
- RTECS-Nr.
- AB8131400
- risk_code
- 22
- Toxizität
- LD50 in female rats (mg/kg): 1860 orally; >2000 dermally (Gisi)
- hazard_code
- Xn
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Verwendung und Herstellung
Uses
An oxizolidinone systemic fungicide; [Merck Index] Used as systemic fungicide for seed treatment of various food crops; Also used on vetch (flowering plants in the legume family), golf courses, and residential lawns; [Reference #1]
Registration for use in the US voluntarily cancelled in 2001; Registrants requested cancellation due to a drop in demand; [Reference #1]
Farming (Pesticides) [Category: Industry]
Anwendungen
VerwendenOxadixyl is a pesticide residue used for the detection of pesticides in vegetation.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter47 Anbieter
Ergänzende Hinweise
DefinitionChEBI: An oxazolidinone that is N-(2,6-dimethylphenyl)-2-methoxyacetamide in which the amide hydrogen is replaced by a 2-oxo-1,3-oxazolidin-3-yl group. A systemic fungicide used to treat seeds of a variety of food crops, as well as lawns.
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