化工社化工社 化学情報印刷レポート · 研究参考用
2-ウンデシルイミダゾール
2-ウンデシルイミダゾール · 2-ウンデシル-1H-イミダゾール · 2－ウンデシルイミダゾ-ル · 2-N-ウンデシルイミダゾール · 2-UNDECYLIMIDAZOLE · Undecylimidazole · Einecs 240-796-9 · 2-N-UNDECYLIMIDAZOLE
識別子と物理属性
| CAS No. | 16731-68-3 |
|---|---|
| 分子式 | C14H26N2 |
| 平均分子量 | 222.37 g/mol |
| 単同位体質量 | 222.20959884 g/mol |
| SMILES | CCCCCCCCCCCc1ncc[nH]1 |
| InChIKey | LLEASVZEQBICSN-UHFFFAOYSA-N |
| PubChem CID | 85582 |
| EC No. | 240-796-9 |
| DTXSID | DTXSID5066114 |
| 現地名 | 2-ウンデシルイミダゾール |
化学・物理的性質
| XLogP | 5.6 |
|---|---|
| 極性表面積 | 28.7 |
| 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 | 10 |
| 重原子数 | 16 |
| 形式電荷 | 0 |
| 複雑度 | 148 |
| 融点 | 69-74 °C (dec.)(lit.) |
| 沸点 | 215 °C20 mm Hg(lit.) |
| 密度 | 0.9700 (rough estimate) |
| 屈折率 | 1.4750 (estimate) |
| 溶解度 | soluble in Methanol |
| 外観・状態 | powder to crystal |
| pKa（酸解離定数） | 14.40±0.10(Predicted) |
| 色 | White to Almost white |
| InChI | InChI=1S/C14H26N2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14/h12-13H,2-11H2,1H3,(H,15,16) |
| InChIKey | LLEASVZEQBICSN-UHFFFAOYSA-N |
| SMILES | C1(CCCCCCCCCCC)NC=CN=1 |
| CAS データベース | 16731-68-3(CAS DataBase Reference) |
| EPAの化学物質情報 | 1H-Imidazole, 2-undecyl- (16731-68-3) |
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (98.8%): 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 80 reports by companies from 6 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. |
|---|---|
| 規制情報 | Chemical: 1H-Imidazole, 2-undecyl-1H-Imidazole, 2-undecyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (98.8%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 税関コード | 2933.29.9000 |
| 危険文句（R） | 36/37/38 |
| 化審法 | (5)-383 |
| 危険表示 | Xi |
| 安全措置（S） | 26-36 |
用途
用途
有機合成原料。
使用
2-n-undecylimidazole is an important organic compound that can be used as a catalyst for the synthesis of high thermal conductive composite membranes.