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4'-Aminoacetanilid
N-(4-AMINOPHENYL)ACETAMIDE · PARA AMINO ACETANILIDE · 4-AMINOACETANILIDE · P-AMINOACETANILIDE · 4-ACETAMIDOANILINE · N-(2-Aminophenyl)acetamide · 4’-aminoacetanilid · c.i.76005
Identifikatoren & physikalische Daten
| CAS No. | 122-80-5 |
|---|---|
| Summenformel | C8H10N2O |
| Durchschnittliche Molmasse | 150,18 g/mol |
| Monoisotopische Masse | 150,07931294 g/mol |
| SMILES | CC(=O)Nc1ccc(N)cc1 |
| InChIKey | CHMBIJAOCISYEW-UHFFFAOYSA-N |
| PubChem CID | 31230 |
| ChEMBL | CHEMBL1318876 |
| ChEBI | CHEBI:229632 |
| EC No. | 204-576-6 |
| DTXSID | DTXSID7024455 |
| Lokaler Name | 4'-Aminoacetanilid |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 139 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 0.08 |
| Löslichkeit | 1 to 10 mg/mL at 77 °F (NTP, 1992)65g/l slightly soluble0.1-1 g/100 mL at 25 ºC |
| Siedepunkt | 513 °F at 760 mmHg (NTP, 1992)267 °C |
| Schmelzpunkt | 329 to 334 °F (NTP, 1992)164-167 °C(lit.) |
| Dampfdruck | 0.0000134 [mmHg] |
| Physical Description | P-aminoacetanilide appears as white or slightly reddish solid. (NTP, 1992)White or slightly reddish solidDarkened by air[Merck Index] Brown solid[Acros Organics MSDS] |
| Dichte | 1.1392 (rough estimate) |
| Brechungsindex | 1.6180 (estimate) |
| Flammpunkt | 195°C |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Fine Crystalline Powder |
| pKa (Säurekonstante) | 14.75±0.70(Predicted) |
| Farbe | Pink to brown |
| pH | 7.2 (1g/l, H2O, 20℃) |
| Merck | 14,411 |
| BRN | 742888 |
| InChI | 1S/C8H10N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11) |
| InChIKey | CHMBIJAOCISYEW-UHFFFAOYSA-N |
| SMILES | CC(=O)Nc1ccc(N)cc1 |
| CAS Datenbank | 122-80-5(CAS DataBase Reference) |
| NIST chemische Informationen | Acetamide, N-(4-aminophenyl)-(122-80-5) |
| EPA chemische Informationen | 4'-Aminoacetanilide (122-80-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 4.5% (8 of 179) of reports.DangerH317 (88.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P321, P333+P317, P337+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 179 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Acetamide, N-(4-aminophenyl)-Acetamide, N-(4-aminophenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetamide, N-(4-aminophenyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 22-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23567 |
| Brandgefahren | Flash point data are not available for this chemical, but it is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes. |
| Gefahrenübersicht | A moderate eye irritant[RTECS] May cause skin, eye, and mucous membrane irritation[NTP] An eye irritant[Acros Organics MSDS] See p-Chloroacetanilide. |
| Reaktive Gruppe | Amides and Imides |
| Reactivity Profile | Aromatic amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions |
Anwendungen & Verwendung
Verwenden
Intermediate in the manufacture of azo dyes, pharmaceuticals.