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3'-Nitroacetanilid
N-(3-Nitrophenyl)acetamide · M-NITROACETANILIDE · 3-NITROACETANILIDE · 3'-Nitroacetanilide · acetanilide,3’-nitro- · Acetanilide, 3'-nitro- · Meta Nitro Acetanilide · 3'-Nitroacetanilide>3-Nitro-N-acetylaniline
Identifikatoren & physikalische Daten
| CAS No. | 122-28-1 |
|---|---|
| Summenformel | C8H8N2O3 |
| Durchschnittliche Molmasse | 180,16 g/mol |
| Monoisotopische Masse | 180,05349212 g/mol |
| SMILES | CC(=O)Nc1cccc([N+](=O)[O-])c1 |
| InChIKey | KFTYNYHJHKCRKU-UHFFFAOYSA-N |
| PubChem CID | 31206 |
| ChEMBL | CHEMBL1568017 |
| EC No. | 204-532-6 |
| DTXSID | DTXSID5059539 |
| Lokaler Name | 3'-Nitroacetanilid |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 212 |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| LogP (Verteilungskoeffizient) | 1.47 |
| Schmelzpunkt | 154-158 °C(lit.) |
| Siedepunkt | 312.97°C (rough estimate) |
| Dichte | 1.340 |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | almost transparency in hot Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 14.20±0.70(Predicted) |
| Farbe | White to Light yellow to Green |
| Merck | 14,6580 |
| BRN | 2211961 |
| InChI | 1S/C8H8N2O3/c1-6(11)9-7-3-2-4-8(5-7)10(12)13/h2-5H,1H3,(H,9,11) |
| InChIKey | KFTYNYHJHKCRKU-UHFFFAOYSA-N |
| SMILES | CC(=O)Nc1cccc(c1)[N+]([O-])=O |
| CAS Datenbank | 122-28-1(CAS DataBase Reference) |
| EPA chemische Informationen | Acetamide, N-(3-nitrophenyl)- (122-28-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Acetamide, N-(3-nitrophenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (97.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29242990 |
| R-Sätze (R) | 36/37/38-43 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
Anwendungen & Verwendung
Verwenden
m-Nitroacetanilide is a useful building block used in a variety of synthetic applications, such as the preparation of chalcones and N-chloroamines.