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Dimethadion
ac1198 · Ac 1198 · bax1400z · propazone · Bax 1400z · Bay 1400z · NSC-30152 · Eupractone
Identifikatoren & physikalische Daten
| CAS No. | 695-53-4 |
|---|---|
| Summenformel | C5H7NO3 |
| Durchschnittliche Molmasse | 129,11 g/mol |
| Monoisotopische Masse | 129,04259308 g/mol |
| SMILES | CC1(C)OC(=O)NC1=O |
| InChIKey | JYJFNDQBESEHJQ-UHFFFAOYSA-N |
| PubChem CID | 3081 |
| ChEMBL | CHEMBL1099 |
| ChEBI | CHEBI:94613 |
| EC No. | 211-781-4 |
| DTXSID | DTXSID2020478 |
| Lokaler Name | Dimethadion |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 173 |
| Collision Cross Section | 124.34 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | 77-80 °C (lit.) |
| Siedepunkt | 137 °C / 6mmHg |
| Dichte | 1.3816 (rough estimate) |
| Brechungsindex | 1.4220 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform, Ethyl Acetate |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 6.13(at 37℃) |
| Farbe | White |
| Merck | 14,3213 |
| BRN | 113541 |
| InChI | 1S/C5H7NO3/c1-5(2)3(7)6-4(8)9-5/h1-2H3,(H,6,7,8) |
| InChIKey | JYJFNDQBESEHJQ-UHFFFAOYSA-N |
| SMILES | CC1(C)OC(=O)NC1=O |
| CAS Datenbank | 695-53-4(CAS DataBase Reference) |
| NIST chemische Informationen | 5,5-Dimethyloxazolidine-2,4-dione(695-53-4) |
| EPA chemische Informationen | 2,4-Oxazolidinedione, 5,5-dimethyl- (695-53-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 26.8% (37 of 138) of reports.WarningH302 (69.6%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P321, P330, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 138 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (69.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29349990 |
| RTECS-Nr. | RP9100000 |
| R-Sätze (R) | 20/21/22-40-33-36/37/38 |
| Toxizität | LD50 i.v. in mice: 450 mg/kg (Stoughton) |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 22-36-24/25-23-36/37-26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2 |
Anwendungen & Verwendung
Verwenden
5,5-Dimethyloxazolidine-2,4-dione is in vivo measurement of intracellular pH.