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HCID 10487522Erstellt: 26. Oktober 2026
5-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
5-methyl-1H-3,1-benzoxazine-2,4-dione · 5-methyl-2H-3,1-benzoxazin-2,4(1H)-dione · 2H-3,1-Benzoxazine-2,4(1H)-dione, 5-methyl- · 5-Methyl-2H-benzo[d][1,3]oxazine-2,4(1H)-dione
https://huagongshe.com/de/chemical/10487522
Identifikatoren & physikalische Daten
| CAS No. | 20877-81-0 |
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| Summenformel | C9H7NO3 |
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| Durchschnittliche Molmasse | 177,16 g/mol |
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| Monoisotopische Masse | 177,04259308 g/mol |
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| SMILES | Cc1cccc2[nH]c(=O)oc(=O)c12 |
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| InChIKey | KJBDXWPWJNDBOS-UHFFFAOYSA-N |
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| PubChem CID | 10487522 |
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| EC No. | 828-556-7 |
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| DTXSID | DTXSID101381989 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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| Polarare Oberfläche (TPSA) | 55,4 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 251 |
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| Schmelzpunkt | 220-235 °C(Solv: ethanol (64-17-5)) |
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| Dichte | 1.335±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Storage temp. 2-8°C |
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| pKa (Säurekonstante) | 10.76±0.20(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH303+H333 (100%): May be harmful if swallowed or if inhaled [Warning Acute toxicity, oralacute toxicity, inhalation]P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P317, 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 5 (100%) |
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| Zollcode | 2934999090 |
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