HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Toluamid
4-METHYLBENZAMIDE · Cladribine Impurity F · PTAD · N-TOLUAMIDE · 4-TOLUAMIDE · p-Toluamide · p-Tolylamide · Tolylsαureamid
Identifikatoren & physikalische Daten
| CAS No. | 619-55-6 |
|---|---|
| Summenformel | C8H9NO |
| Durchschnittliche Molmasse | 135,16 g/mol |
| Monoisotopische Masse | 135,06841391 g/mol |
| SMILES | Cc1ccc(C(N)=O)cc1 |
| InChIKey | UHBGYFCCKRAEHA-UHFFFAOYSA-N |
| PubChem CID | 69274 |
| ChEMBL | CHEMBL3247924 |
| ChEBI | CHEBI:191154 |
| EC No. | 210-600-6 |
| DTXSID | DTXSID2060705 |
| Lokaler Name | p-Toluamid |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 125 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 1.18 |
| Schmelzpunkt | 161-163 °C (lit.) |
| Siedepunkt | 248.86°C (rough estimate) |
| Dichte | 1.1031 (rough estimate) |
| Brechungsindex | 1.5635 (rough estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 16.21±0.50(Predicted) |
| Farbe | White to Almost white |
| BRN | 774353 |
| InChI | 1S/C8H9NO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H2,9,10) |
| InChIKey | UHBGYFCCKRAEHA-UHFFFAOYSA-N |
| SMILES | Cc1ccc(cc1)C(N)=O |
| CAS Datenbank | 619-55-6(CAS DataBase Reference) |
| EPA chemische Informationen | Benzamide, 4-methyl- (619-55-6) |
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 39 reports by companies from 1 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 | 29242990 |
| RTECS-Nr. | CV5570150 |
| R-Sätze (R) | 22-36 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 24/25-26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
4-Methylbenzamide is used in preparation of high efficiency nitriding reagents.