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Acetophenonoxim
Acetophenone oxime 95% · ACETOPHENONE OXIME FOR SYNTHESIS · HYPNONE OXINIE · ACETOPHENONE OXIME · ACETYLBENZENE OXIME · benzenethyloneoxime · methylphenylketoxime · 4-ACETOPHENONE OXIME
Identifikatoren & physikalische Daten
| CAS No. | 613-91-2 |
|---|---|
| Summenformel | C8H9NO |
| Durchschnittliche Molmasse | 135,16 g/mol |
| Monoisotopische Masse | 135,06841391 g/mol |
| SMILES | CC(=NO)c1ccccc1 |
| InChIKey | JHNRZXQVBKRYKN-UHFFFAOYSA-N |
| PubChem CID | 69185 |
| EC No. | 210-360-2 |
| DTXSID | DTXSID7060627 |
| Lokaler Name | Acetophenonoxim |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 125 |
| Schmelzpunkt | 55-60 °C (lit.) |
| Siedepunkt | 118-120 °C/20 mmHg (lit.) |
| Dichte | 1.11 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.5302 (rough estimate) |
| Flammpunkt | 118-120°C/20mm |
| Lagerbedingungen | -20°C |
| pKa (Säurekonstante) | 11.43±0.70(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow |
| Löslichkeit | slightly soluble |
| BRN | 1562059 |
| InChI | 1S/C8H9NO/c1-7(9-10)8-5-3-2-4-6-8/h2-6,10H,1H3/b9-7+ |
| InChIKey | JHNRZXQVBKRYKN-CLFYSBASSA-N |
| SMILES | C\C(=N/O)c1ccccc1 |
| CAS Datenbank | 613-91-2(CAS DataBase Reference) |
| NIST chemische Informationen | Ethanone, 1-phenyl-, oxime(613-91-2) |
| EPA chemische Informationen | Ethanone, 1-phenyl-, oxime (613-91-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29280090 |
| RTECS-Nr. | AM9654000 |
| R-Sätze (R) | 25-41-36/37/38 |
| Toxizität | LD50 orl-mus: 2 g/kg MEXPAG 11,137,64 |
| Gefahrensymbole | T,Xi |
| Sicherheitshinweise (S) | 26-39-37/39 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Acetophenone oxime is a solid but slightly soluble substance. Acetophenone oxime is incompatible with strong oxidising agents, moisture, acids, and metal and alkali compounds. Acetophenone oxime on decomposition releases irritating and toxic fumes and gases. There is no published data about the hazardous polymerisation of acetophenone oxime.
Verwenden
1-Phenylethanone Oxime is a useful reagent for organic synthesis