4-Methyl-1,2,4-triazolidine-3,5-dione
Grundinformationen
- CAS
16312-79-1- Standard-SMILES
Cn1c(=O)[nH][nH]c1=O- InChIKey
XJOOWWMZMXBLAO-UHFFFAOYSA-N- Summenformel
- C3H5N3O2
- Durchschnittliche Molmasse
- 115,09 g/mol
- Monoisotopische Masse
- 115,0381764
Namen und Bezeichner
- Bevorzugter Name
- 4-Methyl-1,2,4-triazolidine-3,5-dione
- IUPAC
- 4-methyl-1,2,4-triazolidine-3,5-dione
- Englischer Name
- 4-METHYL-1,2,4-TRIAZOLIDINE-3,5-DIONE
- Summenformel
- C3H5N3O2
- Molmasse
- 115.09
Namen und Synonyme
4-Methyl-1,2,4-triazolidine-3,5-dione1,2,4-Triazolidine-3,5-dione, 4-methyl-RefChem:524866826-657-04-Methylurazole16312-79-1MFCD00005227Bicarbamimide, N-methyl-4-methylurazol4-Methylurazole, 98%4-Methyltetrahydro-1H-1,2,4-triazole-3,5-dione4-Methyl-1H-1,2,4-triazole-3,5(2H,4H)-dione
Weitere Namen anzeigen
1,2-Dihydro-4-methyl-4H-1,2,4-triazole-3,5-dioneSCHEMBL1830346SCHEMBL3498214DTXSID20936791AKOS015916322AT21274SY1578964-Methyl-4H-1,2,4-triazole-3,5-diol
Datenbank-Bezeichner
- CAS
16312-79-1- PubChem CID
- 177735
- DTXSID
DTXSID20936791- EC Number
- 826-657-0
- Nikkaji
- J236.680K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,9
- Polarare Oberfläche (TPSA)
- 61,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 127
Physikochemische Eigenschaften
- Schmelzpunkt
- 235 · 235-237 °C(lit.)
- Dichte
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO, Methanol
- Aggregatzustand
- Solid
- pka
- 5.56 · 5.56±0.30(Predicted)
- Farbe
- Pale Yellow
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information1,2,4-Triazolidine-3,5-dione, 4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
Chemie und Industrie
Anwendungen
Verwenden4-Methylurazole is an intermediate in the synthesis of N-Methyl-1,2,4-triazolinedione (M330850), a dienophile used in the partial elucidation of Trichogramma putative sex pheromone at trace levels.
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