HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Methyl-5-phenylisoxazole
3-methyl-5-phenyloxazole · 5-Phenyl-3-methylisoxazole · 3-Methyl-5-phenylisoxazole · Isoxazole, 3-methyl-5-phenyl- · 3-methyl-5-phenyl-1,2-oxazole · 3-Methyl-5-phenylisoxazole 95% · 3-Methyl-5-phenylisoxazole ,97% · Isoxazole, 3-methyl-5-phenyl- (6CI,7CI,8CI,9CI)
Identifikatoren & physikalische Daten
| CAS No. | 1008-75-9 |
|---|---|
| Summenformel | C10H9NO |
| Durchschnittliche Molmasse | 159,18 g/mol |
| Monoisotopische Masse | 159,06841391 g/mol |
| SMILES | Cc1cc(-c2ccccc2)on1 |
| InChIKey | FBYQIYSAUFWXQK-UHFFFAOYSA-N |
| PubChem CID | 136804 |
| EC No. | 624-378-7 |
| DTXSID | DTXSID10143518 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 143 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | 63-68 °C |
| Siedepunkt | 262-264 °C/760 mmHg |
| Dichte | 1.082±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -2.38±0.28(Predicted) |
| Farbe | White to Off-White |
| InChI | 1S/C10H9NO/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3 |
| InChIKey | FBYQIYSAUFWXQK-UHFFFAOYSA-N |
| SMILES | Cc1cc(on1)-c2ccccc2 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29349990 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
3-Methyl-5-phenylisoxazole can be used for Aminopeptidase A inhibitors.