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4-フェニルピペリジン
4-フェニルピペリジン · 4‐フェニルピペリジン · NSC 89743 · 4-PHENYLPIPERDINE · AKOS BBS-00003581 · 4-Phenylpiperidine · TIMTEC-BB SBB003943 · RARECHEM AH CK 0160
識別子と物理属性
| CAS No. | 771-99-3 |
|---|---|
| 分子式 | C11H15N |
| 平均分子量 | 161.24 g/mol |
| 単同位体質量 | 161.12044948 g/mol |
| SMILES | c1ccc(C2CCNCC2)cc1 |
| InChIKey | UTBULQCHEUWJNV-UHFFFAOYSA-N |
| PubChem CID | 69873 |
| ChEMBL | CHEMBL20969 |
| EC No. | 212-243-1 |
| DTXSID | DTXSID40227890 |
| 現地名 | 4-フェニルピペリジン |
化学・物理的性質
| XLogP | 2 |
|---|---|
| 極性表面積 | 12 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 1 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 121 |
| Kovats Retention Index | 1454 |
| 融点 | 61-65 °C (lit.) |
| 沸点 | 286 °C(lit.) |
| 密度 | 1.062 g/mL at 25 °C(lit.) |
| 屈折率 | n20/D 1.588(lit.) |
| 引火点 | >230 °F |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,Room temperature |
| 外観・状態 | 粉 |
| pKa（酸解離定数） | 10.20±0.10(Predicted) |
| 色 | 黄色から茶色 |
| 溶解度 | 水に溶ける。 |
| 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 |
| CAS データベース | 771-99-3(CAS DataBase Reference) |
| NISTの化学物質情報 | 4-Phenylpiperidine(771-99-3) |
化学的特性
off-white to light brown crystalline powder and/or
安全性と法規制
| GHS 分類 | 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%) |
| F | 10 |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | TM2625000 |
| 輸送番号（UN） | UN 2922 8/PG 2 |
| 税関コード | 29333990 |
| 危険文句（R） | 36/37/38-34-11-20/21/22 |
| 危険表示 | T,Xi,C,F |
| 安全措置（S） | 26-36/37/39-45-37/39-36/37-16 |
| 危険等級 | IRRITANT |
用途
用途
有機合成原料。
使用
4-Phenylpiperidine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.