HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Aminoacetophenon
M-AMINOACETOPHENONE · 95.2 · 3-ACETYLANILINE · m-acetylaniline · 3-aminoacetofenon · aminoacetophenone · 3-AMINOACETOPHENONE · m-amino-acetophenon
Identifikatoren & physikalische Daten
| CAS No. | 99-03-6 |
|---|---|
| Summenformel | C8H9NO |
| Durchschnittliche Molmasse | 135,16 g/mol |
| Monoisotopische Masse | 135,06841391 g/mol |
| SMILES | CC(=O)c1cccc(N)c1 |
| InChIKey | CKQHAYFOPRIUOM-UHFFFAOYSA-N |
| PubChem CID | 7417 |
| ChEMBL | CHEMBL3408644 |
| ChEBI | CHEBI:182866 |
| EC No. | 202-722-3 |
| DTXSID | DTXSID0021830 |
| Lokaler Name | 3-Aminoacetophenon |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 133 |
| Stoffklassen | Industrial compound |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 94-98 °C(lit.) |
| Siedepunkt | 289-290 °C(lit.) |
| Dichte | 1.1031 (rough estimate) |
| Dampfdruck | 1.319Pa at 25℃ |
| Brechungsindex | 1.5700 (estimate) |
| Flammpunkt | 289-291°C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)7.056g/L(37.5 ºC) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.41±0.10(Predicted) |
| Farbe | Yellow to light brown crystalline powder |
| Merck | 14,413 |
| BRN | 386009 |
| InChI | 1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3 |
| InChIKey | CKQHAYFOPRIUOM-UHFFFAOYSA-N |
| SMILES | CC(=O)c1cccc(N)c1 |
| LogP (Verteilungskoeffizient) | 0.83 |
| CAS Datenbank | 99-03-6(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Aminoacetophenone(99-03-6) |
| EPA chemische Informationen | 3-Aminoacetophenone (99-03-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Cease Manufacture Update: 09-06-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/175913'-Aminoacetophenone: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29223900 |
| RTECS-Nr. | AM5800000 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 36/37-36-26 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 Oral |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3'-Aminoacetophenone has potential anti-bacterial properties in addition to being used in the synthesis of selective antagonists at human A2B adenosine receptors. As well, it is used in the synthesis of HIV-1 Integrase Inhibitors.