2-Phenylacetamid
Benzeneacetamide · PHENYLACETAMIDE · Phenylacetic acid amide · -Toluamide · α-Toluamide · Phenacetamide · ALPHA-TOLUAMIDE · 2-Pheylacetamide
Identifikatoren & physikalische Daten
| CAS No. | 103-81-1 |
|---|---|
| Summenformel | C8H9NO |
| Durchschnittliche Molmasse | 135,16 g/mol |
| Monoisotopische Masse | 135,06841391 g/mol |
| SMILES | NC(=O)Cc1ccccc1 |
| InChIKey | LSBDFXRDZJMBSC-UHFFFAOYSA-N |
| PubChem CID | 7680 |
| ChEMBL | CHEMBL347645 |
| ChEBI | CHEBI:16562 |
| EC No. | 203-147-0 |
| DTXSID | DTXSID1059282 |
| Lokaler Name | 2-Phenylacetamid |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 116 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | Boiling point |
| Dampfdruck | 0.000344 [mmHg] |
| Physical Description | Solid[Merck Index] |
| Schmelzpunkt | 156 °C |
| Siedepunkt | 280-290 °C (dec.) |
| Dichte | 1.1031 (rough estimate) |
| Brechungsindex | 1.5589 (estimate) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Soluble in methanol. |
| pKa (Säurekonstante) | 16.21±0.40(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Plates or leaflets |
| Merck | 14,7266 |
| InChI | InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10) |
| InChIKey | LSBDFXRDZJMBSC-UHFFFAOYSA-N |
| SMILES | C1(CC(N)=O)=CC=CC=C1 |
| CAS Datenbank | 103-81-1(CAS DataBase Reference) |
| NIST chemische Informationen | Benzeneacetamide(103-81-1) |
| EPA chemische Informationen | Benzeneacetamide (103-81-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.7%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | An eye irritantA possible sensitizerHarmful by ingestion[Aldrich MSDS] See 2-Chloro-N-phenylacetamide. |
| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29242990 |
| RTECS-Nr. | AC7705000 |
| R-Sätze (R) | 22-36 |
| Toxizität | LD50 ipr-mus: 430 mg/kg PCJOAU 10,579,76 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-60-36-26 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
In agriculture, 2-Phenylacetamid can be used in the production of many important intermediates of pesticides, such as carbamine. In the field of dyes: it can react with some monomers with color to produce some important raw materials for blue and purple dyes. In the field of fragrances, it can be used as an important raw material for the synthesis of certain spices and flavors. 2-Phenylacetamide can also be used in the synthesis of organometallic, organic peroxide, organic peroxide ester, and other compounds, and can be used as a crosslinking agent for polymers, a film forming agent for coatings, a plasticizer for plastics, etc.
Verwenden
2-Phenylacetamide is used as a pharmaceutical intermediate in the production of penicillin G and phenobarbital, etc. It is also used in organic synthesis.
Herstellung & Synthese
synthetische
Synthesis of 2-phenylacetamide: Add concentrated hydrochloric acid to phenylacetonitrile, stir to dissolve, and react at 50°C for half an hour. Then slowly add water under cooling to separate out crystals, filter after cooling, wash with ice water to obtain crude product. The crude product was washed with sodium carbonate solution, then washed with ice water, and dried to obtain purer phenylacetamide.