Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-Phenylpiperazinium chloride
1-PHENYLPIPERAZINE HCL · TIMTEC-BB SBB003556 · PHENYL PIPERAZINE HCL · 1-phenylpiperazine DIHCL · 1-phenylpiperazinium chloride · 1-phenyl-piperazinhydrochloride · N-PHENYLPIPERAZINE HYDROCHLORIDE · 1-Phenylpiperazine hydrochloride
식별자 및 물리적 특성
| CAS No. | 2210-93-7 |
|---|---|
| 분자식 | C10H15ClN2 |
| 평균 분자량 | 198.69 g/mol |
| 단동위원소 질량 | 198.0923762 g/mol |
| SMILES | Cl.c1ccc(N2CCNCC2)cc1 |
| InChIKey | NQNZNONJZASOKL-UHFFFAOYSA-N |
| PubChem CID | 75164 |
| EC No. | 218-646-9 |
| DTXSID | DTXSID40176612 |
화학 및 물리적 성질
| 극성 표면적 | 15.3 |
|---|---|
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 124 |
| 녹는점 | 247-250 °C(lit.) |
| 밀도 | 0.985(20.0000℃) |
| 저장 조건 | Store at room temperature, keep dry and cool |
화학적 성질
white to off-white crystalline powder
안전 및 규제
| GHS 분류 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]H311 (97.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H331 (88.6%): Toxic if inhaled [Danger Acute toxicity, inhalation]H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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.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 (100%)Acute Tox. 3 (97.7%)Skin Irrit. 2 (97.7%)Eye Irrit. 2 (97.7%)Acute Tox. 3 (88.6%)STOT SE 3 (97.7%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | TM2640000 |
| 운송 번호(UN) | UN 2811 6.1/PG 3 |
| 독성 | rat,LD50,intraperitoneal,140mg/kg (140mg/kg),Compilation of LD50 Values of New Drugs. |
| 관세 코드 | 29335990 |
| 위험 문구(R) | 23/24/25-36/37/38-20/21/22 |
| 위험 표시 | T |
| 안전 문구(S) | 26-28-36/37/39-45 |
용도
용도
N-Phenylpiperazine Hydrochloride is used for acylation in preparation of non-peptide oxytocin antagonists.