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2',4'-Dimethylacetanilid
2,4-DMA · N-(2,4-Dimethylphenyl)acetamide · 2’,4’-acetoxylidine · 2',4'-Acetoxylidine · 2',4'-ACETOXYLIDIDE · 4-Acetamido-m-xylene · -Dimethylacetanilide · N-ACETYL-2,4-XYLIDINE
Identifikatoren & physikalische Daten
| CAS No. | 2050-43-3 |
|---|---|
| Summenformel | C10H13NO |
| Durchschnittliche Molmasse | 163,22 g/mol |
| Monoisotopische Masse | 163,09971404 g/mol |
| SMILES | CC(=O)Nc1ccc(C)cc1C |
| InChIKey | PJEIIBXJUDOMAN-UHFFFAOYSA-N |
| PubChem CID | 16303 |
| ChEMBL | CHEMBL3188564 |
| EC No. | 218-088-6 |
| DTXSID | DTXSID0044868 |
| Lokaler Name | 2',4'-Dimethylacetanilid |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 167 |
| Collision Cross Section | 136.2 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID0044868] |
| Schmelzpunkt | 129-132 °C(lit.) |
| Siedepunkt | 290.31°C (rough estimate) |
| Dichte | 1.0508 (rough estimate) |
| Brechungsindex | 1.5718 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 15.14±0.70(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White |
| InChI | 1S/C10H13NO/c1-7-4-5-10(8(2)6-7)11-9(3)12/h4-6H,1-3H3,(H,11,12) |
| InChIKey | PJEIIBXJUDOMAN-UHFFFAOYSA-N |
| SMILES | CC(=O)Nc1ccc(C)cc1C |
| EPA chemische Informationen | 2',4'-Dimethylacetanilide (2050-43-3) |
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 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 | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2924297099 |
| RTECS-Nr. | AN7420000 |
| R-Sätze (R) | 22-36/37/38 |
| Toxizität | LD50 orl-mus: 1300 mg/kg TXAPA9 19,20,71 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2′,4′-Dimethylacetanilide (N-acetyl-2,4-xylidine) may be used as a starting material in the synthesis of 5-acetamido-2,4-dimethylaniline.