2-ヨード-2-メチルプロパン
2-ヨード-2-メチルプロパン · 2-メチル-2-ヨードプロパン · よう化tert-ブチル · よう化t-ブチル · 1,1-ジメチル-1-ヨードエタン · tert-ブチルヨージド · 1-ヨード-1,1-ジメチルエタン · 2-ヨード-2-メチルプロパン, 97%
識別子と物理属性
| CAS No. | 558-17-8 |
|---|---|
| 分子式 | C4H9I |
| 平均分子量 | 184.02 g/mol |
| 単同位体質量 | 183.9749 g/mol |
| SMILES | CC(C)(C)I |
| InChIKey | ANGGPYSFTXVERY-UHFFFAOYSA-N |
| PubChem CID | 11206 |
| EC No. | 209-190-1 |
| DTXSID | DTXSID3060328 |
| 現地名 | 2-ヨード-2-メチルプロパン |
化学・物理的性質
| XLogP | 2.7 |
|---|---|
| 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 | 0 |
| 重原子数 | 5 |
| 形式電荷 | 0 |
| 複雑度 | 25 |
| Kovats Retention Index | 698.1686694699715694.5 |
| 融点 | −38 °C(lit.) |
| 沸点 | 99-100 °C(lit.) |
| 密度 | 1.544 g/mL at 25 °C(lit.) |
| 屈折率 | n20/D 1.491(lit.) |
| 引火点 | 46 °F |
| 貯蔵条件 | 2-8°C |
| 溶解度 | エタノールおよびエーテルと混和します。 |
| 外観・状態 | clear liquid to cloudy liquid |
| 色 | Colorless to Light yellow to Light orange |
| BRN | 505950 |
| 誘電率 | 8.4199999999999999 |
| 安定性 | 安定していますが、光にさらされると変色することがあります。とても燃えやすい。強塩基および強酸化剤とは相容れない。 |
| InChI | 1S/C4H9I/c1-4(2,3)5/h1-3H3 |
| InChIKey | ANGGPYSFTXVERY-UHFFFAOYSA-N |
| SMILES | CC(C)(C)I |
| CAS データベース | 558-17-8(CAS DataBase Reference) |
| EPAの化学物質情報 | Propane, 2-iodo-2-methyl- (558-17-8) |
化学的特性
deep brown liquid
安全性と法規制
| GHS 分類 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H400 (88.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 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 | Flam. Liq. 2 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (95.6%)Aquatic Acute 1 (88.9%) |
| F | 8-10-23 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | TZ4251000 |
| 輸送番号（UN） | UN 2391 3/PG 2 |
| 税関コード | 29033990 |
| 危険文句（R） | 11-36/37/38-53 |
| 消防法 | 危-4-1-II |
| 危険表示 | F,Xi |
| 安全措置（S） | 16-26-36 |
用途
使用
2-Iodo-2-methylpropane is used as a chemical reagent in organic synthesis. Further, it serves as a pharmaceutical intermediate.
一般的な説明
2-Iodo-2-methylpropane was degraded by reductive dehalogenation with nickel-aluminum alloy in potassium hydroxide solution.
製法・合成法
純化方法
Vacuum distillation has been used to obtain a distillate which remained colourless for several weeks at -5o. More extensive treatment has been used by Boggs, Thompson and Crain [J Phys Chem 61 625 1957] who washed with aqueous NaHSO3 solution to remove free iodine, dried this for 1hour over Na2SO3 at 0o, and purified it by four or five successive partial freezings of the liquid to obtain colourless material and was stored at -78o with Ag wool. [Beilstein 1 IV 300.]