1-ヨードブタン
1-ヨードブタン · ブチルヨージド · よう化ブチル · よう化-n-ブチル · よう化n-ブチル · 1-ヨドブタン · 1-ヨ-ドブタン · 1-ヨードブタン ヨウ化物
識別子と物理属性
| CAS No. | 25267-27-0 |
|---|---|
| 分子式 | C4H9I |
| 平均分子量 | 184.02 g/mol |
| 単同位体質量 | 183.97489829 g/mol |
| SMILES | CCCCI |
| InChIKey | KMGBZBJJOKUPIA-UHFFFAOYSA-N |
| PubChem CID | 10962 |
| EC No. | 208-824-4 |
| DTXSID | DTXSID70862157 |
| 現地名 | 1-ヨードブタン |
化学・物理的性質
| XLogP | 3.1 |
|---|---|
| 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 | 2 |
| 重原子数 | 5 |
| 形式電荷 | 0 |
| 複雑度 | 13.1 |
| 物質分類 | Other Classes -> Halogenated Aliphatics, Saturated |
| SpringerMaterials Properties | Schoenflies notation |
| LogP（分配係数） | 3.08 |
| 蒸気圧 | 13.9 [mmHg]18.5 hPa (25 °C) |
| Physical Description | Liquid[Merck Index] Colorless liquid[Alfa Aesar MSDS] |
| 融点 | −103 °C(lit.) |
| 沸点 | 130-131 °C(lit.) |
| 密度 | 1.617 g/mL at 25 °C(lit.) |
| 蒸気密度 | ~5 (vs air) |
| 屈折率 | n20/D 1.498(lit.) |
| 引火点 | 92 °F |
| 貯蔵条件 | Store below +30°C. |
| 溶解度 | アルコール：可溶水に不溶。 |
| 外観・状態 | 液体 |
| 色 | 無色透明～淡黄色または薄桃色 |
| Merck | 14,1573 |
| BRN | 1420755 |
| ヘンリー定数 | 6.9×10-4 mol/(m3Pa) at 25℃, Brockbank (2013) |
| 誘電率 | 4.5(130℃) |
| 安定性 | 安定。とても燃えやすい。強力な酸化剤とは相容れない。光に敏感。 |
| InChI | 1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3 |
| InChIKey | KMGBZBJJOKUPIA-UHFFFAOYSA-N |
| SMILES | CCCCI |
| CAS データベース | 542-69-8(CAS DataBase Reference) |
| NISTの化学物質情報 | Butane, 1-iodo-(542-69-8) |
| EPAの化学物質情報 | Butane, 1-iodo- (542-69-8) |
化学的特性
colorless liquid. Soluble in chloroform, miscible with ethanol and ether, insoluble in water, and will change color when exposed to light or left for a long time.
安全性と法規制
| GHS 分類 | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 54 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Butane, 1-iodo-1-Iodobutane: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | An irritantHarmful by inhalation[Alfa Aesar MSDS] See 1-Bromobutane and n-Butyl chloride. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| 有害作用 | Neurotoxin - Acute solvent syndrome |
| Toxicity Data | LC50 (rat) = 6,100 mg/m3/4hr |
| F | 8 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | EK4400000 |
| 輸送番号（UN） | UN 1993 3/PG 3 |
| 税関コード | 29033080 |
| 危険文句（R） | 10-20-36/37/38-20/22 |
| 化審法 | (2)-63 |
| 安衛法 | 57,57-2 |
| 消防法 | 危-4-2-III |
| 危険表示 | Xn |
| hazard_note | Harmful |
| 安全措置（S） | 16-36-36/37/39-26 |
| 危険等級 | 3Acute Tox. 3 InhalationFlam. Liq. 3 |
| 包装等級 | III |
| 貯蔵分類 | 3 - Flammable liquids |
用途
使用
1-Iodobutane was used in the synthesis of S-alkylated 5-(2-,3- and 4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol and 5-(2-,3- and 4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol. It is also used in wide range of medicals industrial applications as well as in human and animal nutrition products, pharmaceutical intermediates, polarizing films for Liquid Crystal Display (LCD) chemicals.
一般的な説明
Thermal chemistry of 1-iodobutane has been investigated on clean and hydrogen- and deuterium-predosed Pt(111) single-crystal surfaces by temperature-programmed desorption and reflection-absorption infrared spectroscopy.
製法・合成法
製造方法
1-Iodobutane is obtained by reacting n-butanol with iodine in the presence of phosphorus.
純化方法
Dry the iodide with MgSO4 or P2O5, fractionally distil it through a column packed with glass helices, taking the middle fraction and storing over calcium or mercury in the dark. Alternatively purify it by prior passage through activated alumina or by shaking with conc H2SO4 then washing with Na2SO3 solution. It has also been treated carefully with sodium to remove free HI and H2O, before distilling through a column containing copper turnings at the top. Another purification procedure consisted of treatment with bromine, followed by extraction of free halogen with Na2S2O3, washing with H2O, drying and fractionally distilling. [Beilstein 1 IV 271.]