Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-Phenylpiperidine
NSC 89743 · 4-PHENYLPIPERDINE · AKOS BBS-00003581 · 4-Phenylpiperidine · TIMTEC-BB SBB003943 · RARECHEM AH CK 0160 · 4-Phenyl piperadine · Piperidine, 4-phenyl-
식별자 및 물리적 특성
| CAS No. | 771-99-3 |
|---|---|
| 분자식 | C11H15N |
| 평균 분자량 | 161.24 g/mol |
| 단동위원소 질량 | 161.12044948 g/mol |
| SMILES | c1ccc(C2CCNCC2)cc1 |
| InChIKey | UTBULQCHEUWJNV-UHFFFAOYSA-N |
| PubChem CID | 69873 |
| ChEMBL | CHEMBL20969 |
| EC No. | 212-243-1 |
| DTXSID | DTXSID40227890 |
화학 및 물리적 성질
| XLogP | 2 |
|---|---|
| 극성 표면적 | 12 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 121 |
| Kovats Retention Index | 1454 |
| 녹는점 | 61-65 °C (lit.) |
| 끓는 점 | 286 °C(lit.) |
| 밀도 | 1.062 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.588(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 10.20±0.10(Predicted) |
| 색상 | 노란색에서 갈색으로 |
| 용해도 | 물에 용해됩니다. |
| BRN | 124508 |
| InChI | InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2 |
| InChIKey | UTBULQCHEUWJNV-UHFFFAOYSA-N |
| SMILES | N1CCC(C2=CC=CC=C2)CC1 |
| NIST | 4-Phenylpiperidine(771-99-3) |
화학적 성질
off-white to light brown crystalline powder and/or
안전 및 규제
| GHS 분류 | WarningH315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (96%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 7 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 | Skin Irrit. 2 (98%)Eye Irrit. 2 (98%)STOT SE 3 (96%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | TM2625000 |
| 운송 번호(UN) | UN 2922 8/PG 2 |
| 관세 코드 | 29333990 |
| 위험 문구(R) | 36/37/38-34-11-20/21/22 |
| 위험 표시 | T,Xi,C,F |
| 안전 문구(S) | 26-36/37/39-45-37/39-36/37-16 |
| 위험 등급 | IRRITANT |
| F 고인화성물질 | 10 |
용도
용도
4-Phenylpiperidine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.