3-Hydroxy-5-methylisoxazol
Hymexazol
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Grundinformationen
- CAS
10004-44-1- Standard-SMILES
Cc1cc(=O)[nH]o1- InChIKey
KGVPNLBXJKTABS-UHFFFAOYSA-N- Summenformel
- C4H5NO2
- Durchschnittliche Molmasse
- 99,09 g/mol
- Monoisotopische Masse
- 99,0320284
Überblick
Hymexazol is a member of the class of isoxazoles carrying hydroxy and methyl substituents at positions 3 and 5 respectively. It is used worldwide as a systemic soil and seed fungicide for the control of diseases caused by Fusarium, Aphanomyces, Pythium, and Corticium spp. in rice, sugarbeet, fodderbeet, vegetables, cucurbits, and ornamentals. It has a role as an antifungal agrochemical. It is a member of isoxazoles and a heteroaryl hydroxy compound.
Namen und Bezeichner
- Bevorzugter Name
- Hymexazol
- IUPAC
- 5-methyl-1,2-oxazol-3-one
- Lokaler Name
- 3-Hydroxy-5-methylisoxazol
- Englischer Name
- Hymexazol
- Summenformel
- C4H5NO2
- Molmasse
- 99.09
Namen und Synonyme
Hymexazol10004-44-13-Hydroxy-5-methylisoxazole5-Methylisoxazol-3-olHymexazoleTachigarenHydroxyisoxazole5-Methyl-3-hydroxyisoxazole5-METHYL-3(2H)-ISOXAZOLONESF-6505F 3195-methylisoxazol-3-one
Weitere Namen anzeigen
5-Methylisoxazol-3(2H)-oneTACHIGALOZE5-Hydroxy-3-methylisoxazolebucidT 319
F-319NSC 217971DTXSID303262220T2M875LONSC-217971CHEBI:5827DTXCID1012622RTY-319
Datenbank-Bezeichner
- CAS
10004-44-1- PubChem CID
- 24781
- DTXSID
DTXSID3032622- ChEMBL
CHEMBL244877- ChEBI
CHEBI:5827- UNII
- 20T2M875LO
- EC Number
- 233-000-6
- Nikkaji
- J3.115A
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 38,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 128
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesChemical shift
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Approved
Environmental transformation -> Pesticides (parent, predecessor)
LogP0.26
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 80 °C · 80°C
- Siedepunkt
- 185.54 °C · 185.54°C (rough estimate)
- Dichte
- 1.2992 · 1.2992 (rough estimate)
- Dampfdruck
- 0.182 Pa · 0.182 Pa (25 °C)
- Brechungsindex
- 1.417 · 1.4170 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Soluble in alcohol, acetone, THF, chloroform
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
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Commission Regulation (EC) No 1490/2002
Hymexazol is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
2011/5/EU, Reg. (EU) 2023/918, Reg. (EU) 2026/1421, Reg.(EU) No 2018/1266, Reg.(EU) No 540/2011
Hymexazol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 3(2H)-Isoxazolone, 5-methyl-: Human health tier I assessment
Hazard Classes and Categories
Acute Tox. 4 (100%)
Reproductive toxicity - category 2
Repr. 2
Toxikologische Informationen
RAIS Toxicity Values
1.5
OPP
0.3
OPP
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationEnvironmental transformation -> Pesticides (parent, predecessor)
Anwendungen
VerwendenHymexazol is used to control soil-borne diseases caused by Fusarium, Aphanomyces, Pythium, Corficium and Typhula spp. in rice, sugar beet, fodder beet, vegetables, cucurbits, ornamentals, carnations and forest tree seedlings. It is also used as a seed dressing and stimulates some plant growth.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Ergänzende Hinweise
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