1-ヨードプロパン
1-ヨードプロパン · よう化プロピル · プロピルヨージド · n-プロピルヨージド · よう化n-プロピル · ヨウ化-n-プロピル · 1-ヨードプロパン ヨウ化プロピル ヨウ化物 · 1‐ヨードプロパン
識別子と物理属性
| CAS No. | 107-08-4 |
|---|---|
| 分子式 | C3H7I |
| 平均分子量 | 169.99 g/mol |
| 単同位体質量 | 169.95924822 g/mol |
| SMILES | CCCI |
| InChIKey | PVWOIHVRPOBWPI-UHFFFAOYSA-N |
| PubChem CID | 33643 |
| EC No. | 203-460-2 |
| DTXSID | DTXSID501015653 |
| 現地名 | 1-ヨードプロパン |
化学・物理的性質
| XLogP | 2.6 |
|---|---|
| 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 | 4 |
| 形式電荷 | 0 |
| 複雑度 | 7.2 |
| 物質分類 | Other Classes -> Halogenated Aliphatics, SaturatedFlammable agents - 2nd degree |
| SpringerMaterials Properties | Coriolis coupling |
| LogP（分配係数） | 2.54 |
| 蒸気圧 | 43.1 [mmHg]43 mm Hg ( 25 °C) |
| Physical Description | Iodopropanes appears as a colorless liquid that discolors in air. Denser than water. The vapors are heavier than air. May be mildly toxic by inhalation. Used as a solvent and to make pharmaceuticals.Colorless or yellowish liquid[Merck Index] |
| 融点 | -101 °C |
| 沸点 | 101-102 °C(lit.) |
| 密度 | 1.743 g/mL at 25 °C(lit.) |
| 屈折率 | n20/D 1.504(lit.) |
| 引火点 | 112 °F |
| 貯蔵条件 | Store below +30°C. |
| 溶解度 | 1.1g/リットル水に完全に混和します。 |
| 外観・状態 | 液体 |
| 色 | 無色透明～黄色 |
| Merck | 14,7862 |
| BRN | 505937 |
| ヘンリー定数 | (x 10-3 atmm3/mol): 9.09 at 25 °C (Hine and Mookerjee, 1975) |
| 誘電率 | 7.0899999999999999 |
| 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。強酸化剤および強塩基とは相容れない。可燃性。 |
| InChI | 1S/C3H7I/c1-2-3-4/h2-3H2,1H3 |
| InChIKey | PVWOIHVRPOBWPI-UHFFFAOYSA-N |
| SMILES | CCCI |
| CAS データベース | 107-08-4(CAS DataBase Reference) |
| NISTの化学物質情報 | Propane, 1-iodo-(107-08-4) |
| EPAの化学物質情報 | Propane, 1-iodo- (107-08-4) |
化学的特性
colourless liquid
安全性と法規制
| GHS 分類 | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 50 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: Propane, 1-iodo-Status: Active Update: 01-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/220931-Iodopropane: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 輸送ラベル（DOT） | Flammable Liquid |
| 火災危険 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| 健康有害性 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| 有害性の概要 | An irritantHarmful by inhalation[Alfa Aesar MSDS] |
| 反応性グループ | Halogenated Organic Compounds |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | Halogenated aliphatic compounds, such as IODOPROPANE, are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Low molecular weight haloalkanes are highly flammable and can react with some metals to form dangerous products. Materials in this group are incompatible with strong oxidizing and reducing agents. Also, they are incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. |
| Air and Water Reactions | Highly flammable. Slightly soluble in water. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Flammable agents - 2nd degree |
| 消火 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| 応急処置 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| 非火災時の漏出対応 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Toxicity Data | LC50 (rat) = 73,000 mg/m3/30min |
| F | 8 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | TZ4100000 |
| 輸送番号（UN） | UN 2392 (IODOPROPANES) |
| 毒性 | LD50 (inhalation) for rats 73,000 mg/m3/30-min (quoted, RTECS, 1985). |
| 税関コード | 29033080 |
| 危険文句（R） | 10-20-36/37/38-52/53-2017/10/20 |
| 安衛法 | 57,57-2 |
| 消防法 | 危-4-2-III |
| 危険表示 | Xn,Xi,N |
| hazard_note | Irritant |
| 安全措置（S） | 16-26-36/37-61 |
| 危険等級 | 3Acute Tox. 4 InhalationAquatic Chronic 1Carc. 2Eye Irrit. 2Flam. Liq. 3Muta. 2Skin Irrit. 2STOT SE 3 |
| 包装等級 | III |
| 貯蔵分類 | 3 - Flammable liquids |
用途
用途
プロピル化剤や医薬品，工業用原料
使用
1-Iodopropane is 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. Iodine derivatives are also used as organic building blocks, analytical reagents etc. It is also used as a solvent and intermediate of organic synthesis.
製法・合成法
合成方法
乾燥した1-プロパノールにヨウ素とリンを作用させて製造される
純化方法
It should be distilled first under reduced pressure to avoid decomposition. Dry the iodide with MgSO4 or silica gel and fractionally distil it. Store it under nitrogen with mercury in a brown bottle. Prior to distillation, free iodine can be removed by shaking with copper powder or by washing with aqueous Na2S2O3 and drying. Alternatively, the n-propyl iodide can be treated with bromine, then washed with aqueous Na2S2O3, dried and distilled. See also n-butyl iodide. [Beilstein 1 IV 222.]