Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-클로로-N-페네틸아세트아마이드
2-클로로-N-페네틸아세트아마이드 · SKL825 · AKOS B028817 · BUTTPARK 80\07-97 · AKOS BBS-00000816 · Praziquantel Impurity 16 · 2-CHLORO-N-PHENETHYLACETAMIDE · 2-chloro-n-phenethyl-acetamid
식별자 및 물리적 특성
| CAS No. | 13156-95-1 |
|---|---|
| 분자식 | C10H12ClNO |
| 평균 분자량 | 197.66 g/mol |
| 단동위원소 질량 | 197.0607417 g/mol |
| SMILES | O=C(CCl)NCCc1ccccc1 |
| InChIKey | LNWWGHNQLOXRTF-UHFFFAOYSA-N |
| PubChem CID | 94921 |
| ChEMBL | CHEMBL3244840 |
| EC No. | 695-978-4 |
| DTXSID | DTXSID10157110 |
| 현지명 | 2-클로로-N-페네틸아세트아마이드 |
화학 및 물리적 성질
| XLogP | 2.1 |
|---|---|
| 극성 표면적 | 29.1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 155 |
| 녹는점 | 67-70°C |
| 끓는 점 | 186-189 °C(Press: 14 Torr) |
| 밀도 | 1.145±0.06 g/cm3(Predicted) |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 13.94±0.46(Predicted) |
안전 및 규제
| GHS 분류 | DangerH301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (50%)Skin Irrit. 2 (100%)Eye Dam. 1 (50%)Eye Irrit. 2 (50%)STOT SE 3 (100%) |
| 관세 코드 | 2909199090 |
| 위험 표시 | Xi |
| 위험 등급 | IRRITANT |
용도
용도
2-Chloro-N-phenethylacetamide is used as a reagent in the synthesis of praziquantel by tandem amidoalkylation and N-acyliminium ion cyclization.