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N,N-Dimethylbenzamid
Dimethylbenzamide · 1N1&VR · Dimethylbenzmide · N,N-Dimethylbenzami · n,n-dimethyl-benzamid · N,N-Dimethyl Benzmide · N,N-DIMETHYLBENZAMIDE · LABOTEST-BB LT00793055
Identifikatoren & physikalische Daten
| CAS No. | 611-74-5 |
|---|---|
| Summenformel | C9H11NO |
| Durchschnittliche Molmasse | 149,19 g/mol |
| Monoisotopische Masse | 149,08406397 g/mol |
| SMILES | CN(C)C(=O)c1ccccc1 |
| InChIKey | IMNDHOCGZLYMRO-UHFFFAOYSA-N |
| PubChem CID | 11916 |
| ChEMBL | CHEMBL453210 |
| EC No. | 210-279-2 |
| DTXSID | DTXSID4060602 |
| Lokaler Name | N,N-Dimethylbenzamid |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 136 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 1.2 |
| Dampfdruck | 0.00887 [mmHg] |
| Physical Description | White crystalline solid[Alfa Aesar MSDS] |
| Schmelzpunkt | 43-45 °C (lit.) |
| Siedepunkt | 132-133 °C/15 mmHg (lit.) |
| Dichte | 1.0753 (rough estimate) |
| Brechungsindex | 1.5279 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C(protect from light) |
| Aggregatzustand | powder to lump to clear liquid |
| pKa (Säurekonstante) | -1.14±0.70(Predicted) |
| Farbe | White or Colorless to Light yellow |
| Löslichkeit | Soluble in water. |
| BRN | 774955 |
| InChI | 1S/C9H11NO/c1-10(2)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3 |
| InChIKey | IMNDHOCGZLYMRO-UHFFFAOYSA-N |
| SMILES | CN(C)C(=O)c1ccccc1 |
| CAS Datenbank | 611-74-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzamide, N,N-dimethyl-(611-74-5) |
| EPA chemische Informationen | Benzamide, N,N-dimethyl- (611-74-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 11-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24052 |
| Gefahrenübersicht | A skin and strong eye irritantToxic by ingestion[Alfa Aesar MSDS] See Benzamide. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29242990 |
| RTECS-Nr. | CV4500000 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Reagent for deoxygenation of secondary alcohols.