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2-Methyl-4H-3,1-benzoxazin-4-on
2-Methyl-4H-benzo[d][1,3]oxazin-4-one · NSC 10119 · NSC 521353 · ACETANTHRANIL · AURORA KA-3785 · Acetylanthranyl · ACETYL ANTHRANIL · TIMTEC-BB SBB000135
Identifikatoren & physikalische Daten
| CAS No. | 525-76-8 |
|---|---|
| Summenformel | C9H7NO2 |
| Durchschnittliche Molmasse | 161,16 g/mol |
| Monoisotopische Masse | 161,04767846 g/mol |
| SMILES | Cc1nc2ccccc2c(=O)o1 |
| InChIKey | WMQSKECCMQRJRX-UHFFFAOYSA-N |
| PubChem CID | 68236 |
| ChEMBL | CHEMBL343202 |
| EC No. | 208-381-7 |
| DTXSID | DTXSID0049313 |
| Lokaler Name | 2-Methyl-4H-3,1-benzoxazin-4-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 235 |
| Schmelzpunkt | 79-82 °C(lit.) |
| Siedepunkt | 144-145 °C(Press: 12 Torr) |
| Dichte | 1.25±0.1 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (Säurekonstante) | 2.84±0.20(Predicted) |
| InChI | InChI=1S/C9H7NO2/c1-6-10-8-5-3-2-4-7(8)9(11)12-6/h2-5H,1H3 |
| InChIKey | WMQSKECCMQRJRX-UHFFFAOYSA-N |
| SMILES | N1C2=CC=CC=C2C(=O)OC=1C |
| EPA chemische Informationen | 4H-3,1-Benzoxazin-4-one, 2-methyl- (525-76-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Methyl-4H-3,1-benzoxazin-4-one is a synthetic antimicrobial agent. It belongs to the quinazolinone class of drugs. It has been shown to be effective against Staphylococcus aureus and other bacteria. Quinazolinones are potent inhibitors of bacterial growth and have been used successfully in the treatment of tuberculosis and other infectious diseases. 2-Methyl-4H-3,1-benzoxazin-4-one has also been shown to inhibit the growth of some Gram-negative bacteria, such as Salmonella typhi and Escherichia coli.