化工社化工社 化学情報印刷レポート · 研究参考用
2,2'-ジブロモ-1,1'-ビナフタレン
2,2'-ジブロモ-1,1'-ビナフタレン · 1,1'-ビ(2-ブロモナフタレン) · 2,2'-ジブロモ-1,1'-ビナフチル · (±)-2,2'-ジブロモ-1,1'-ビナフチル · 2,2′-ジブロモ-1,1′-ビナフタレン · 1,1′-ビ(2-ブロモナフタレン) · 2,2'-Dibromo-1,1'-binaphthalene · SKL192
識別子と物理属性
| CAS No. | 74866-28-7 |
|---|---|
| 分子式 | C20H12Br2 |
| 平均分子量 | 412.1 g/mol |
| 単同位体質量 | 409.93058 g/mol |
| SMILES | Brc1ccc2ccccc2c1-c1c(Br)ccc2ccccc12 |
| InChIKey | IJUDEFZBMMRSNM-UHFFFAOYSA-N |
| PubChem CID | 619909 |
| EC No. | 626-733-1 |
| DTXSID | DTXSID60347302 |
| 現地名 | 2,2'-ジブロモ-1,1'-ビナフタレン |
化学・物理的性質
| XLogP | 7.4 |
|---|---|
| 極性表面積 | 0 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 0 |
| 回転可能結合数 | 1 |
| 重原子数 | 22 |
| 形式電荷 | 0 |
| 複雑度 | 346 |
| 融点 | 178-183 °C |
| 沸点 | 178-183°C |
| 密度 | 1.614±0.06 g/cm3(Predicted) |
| 引火点 | 178-183°C |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 溶解度 | soluble in Toluene水にやや溶けにくい。 |
| 外観・状態 | 粉 |
| 色 | ホワイトからオフホワイト |
| InChI | 1S/C20H12Br2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12H |
| InChIKey | IJUDEFZBMMRSNM-UHFFFAOYSA-N |
| SMILES | Brc1ccc2ccccc2c1-c3c(Br)ccc4ccccc34 |
| CAS データベース | 74866-28-7(CAS DataBase Reference) |
安全性と法規制
| GHS 分類 | WarningH302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H413 (88.6%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 3 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. 4 (88.6%)Skin Irrit. 2 (11.4%)Eye Irrit. 2 (11.4%)Aquatic Chronic 4 (88.6%) |
| 水環境危害等級（WGK） | 3 |
| 税関コード | 2903.99.8001 |
| 危険文句（R） | 36/37/38-22 |
| 危険表示 | Xn |
| 安全措置（S） | 26-36/37/39 |
| 危険等級 | Acute Tox. 4 OralAquatic Chronic 4 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
用途
有機合成原料。
使用
The synthesis of this class of compounds relies on the lithiation of racemic 2,2'-dibromo-1,1'-binaphthyl with t-BuLi followed by addition of Ph 2 PCl.
製法・合成法
純化方法
Purify the binaphthyl by chromatography through a silica gel column (70-230mesh) using hexane as eluent. It gives pale yellow crystals from EtOH with m 187.3-187.9o. The R-(+)-enantiomer [86688-08-6] crystallises from hexane with m 157-157.5o and [] D +32.9o (c 1, pyridine) [Brown et al. J Org Chem 50 4345 1985]. [Okamoto et al. J Am Chem Soc 103 69711981, Beilstein 5 III 2465.]