Benzeneacetamide
Benzeneacetamide · PHENYLACETAMIDE · Phenylacetic acid amide · -Toluamide · α-Toluamide · Phenacetamide · ALPHA-TOLUAMIDE · 2-Pheylacetamide
식별자 및 물리적 특성
| CAS No. | 103-81-1 |
|---|---|
| 분자식 | C8H9NO |
| 평균 분자량 | 135.16 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | 0.5 |
|---|---|
| 극성 표면적 | 43.1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 116 |
| 물질 분류 | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | Boiling point |
| 증기압 | 0.000344 [mmHg] |
| Physical Description | Solid[Merck Index] |
| 녹는점 | 156 °C |
| 끓는 점 | 280-290 °C (dec.) |
| 밀도 | 1.1031 (rough estimate) |
| 굴절률 | 1.5589 (estimate) |
| 저장 조건 | Refrigerator |
| 용해도 | 메탄올에 용해됩니다. |
| pKa(산도 계수) | 16.21±0.40(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 디스크 모양 또는 벗겨지기 쉬운 결정 |
| 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 |
| NIST | Benzeneacetamide(103-81-1) |
| EPA | Benzeneacetamide (103-81-1) |
화학적 성질
2-Phenylacetamide, also known as alpha-toluamide or benzeneacetamide, belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids. Pure crystals are plate shaped and colorless to white. soluble in hot water, ethanol, slightly soluble in cold water, ether and benzene.
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 유해성 요약 | An eye irritantA possible sensitizerHarmful by ingestion[Aldrich MSDS] See 2-Chloro-N-phenylacetamide. |
| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | AC7705000 |
| 독성 | LD50 ipr-mus: 430 mg/kg PCJOAU 10,579,76 |
| 관세 코드 | 29242990 |
| 위험 문구(R) | 22-36 |
| 위험 표시 | Xi |
| 안전 문구(S) | 22-24/25-60-36-26 |
| 위험 등급 | IRRITANT |
용도
용도
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.
용도
2-Phenylacetamide is used as a pharmaceutical intermediate in the production of penicillin G and phenobarbital, etc. It is also used in organic synthesis.
제조 및 합성 방법
제조 방법
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.