化工社化工社 化学情報印刷レポート · 研究参考用
1,4-ジクロロブタン
1,4-ジクロロブタン · テトラメチレンクロリド · テトラメチレンジクロリド · 塩化テトラメチレン · 1，4ジクロロブタン · 二塩化テトラメチレン · 1,4‐ジクロロブタン · 1,4-ジクロロブタン STANDARD
識別子と物理属性
| CAS No. | 110-56-5 |
|---|---|
| 分子式 | C4H8Cl2 |
| 平均分子量 | 127.01 g/mol |
| 単同位体質量 | 126.00030562 g/mol |
| SMILES | ClCCCCCl |
| InChIKey | KJDRSWPQXHESDQ-UHFFFAOYSA-N |
| PubChem CID | 8059 |
| EC No. | 203-778-1 |
| DTXSID | DTXSID5021918 |
| 現地名 | 1,4-ジクロロブタン |
化学・物理的性質
| XLogP | 2.1 |
|---|---|
| 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 | 3 |
| 重原子数 | 6 |
| 形式電荷 | 0 |
| 複雑度 | 17.5 |
| 物質分類 | Other Classes -> Halogenated Aliphatics, Saturated |
| SpringerMaterials Properties | Schoenflies notation |
| LogP（分配係数） | 2.24 |
| 密度 | 1.1408 (NTP, 1992) - Denser than waterwill sink1.16 g/mL at 25 °C (lit.) |
| 引火点 | 104 °F (NTP, 1992) |
| 沸点 | 309 °F at 760 mmHg (NTP, 1992)161-163 °C (lit.) |
| 融点 | -35.1 °F (NTP, 1992)-38 °C (lit.) |
| 蒸気密度 | 4.4 (NTP, 1992) - Heavier than airwill sink (Relative to Air) |
| 蒸気圧 | 4 mmHg at 68 °F (NTP, 1992)4.13 [mmHg]5 hPa (20 °C) |
| Physical Description | 1,4-dichlorobutane is a colorless mobile liquid with a mild pleasant odor. (NTP, 1992)Colorless liquid with a mild pleasant odor[CAMEO] |
| 屈折率 | n20/D 1.454(lit.) |
| 貯蔵条件 | Store below +30°C. |
| 溶解度 | 2.4g/リットル0.24g/100mL(20℃) |
| 外観・状態 | 液体 |
| 色 | クリア |
| pH | 7.3 (H2O, 20℃) |
| 爆発限界 | 1.8-8.9%(V) |
| BRN | 635673 |
| ヘンリー定数 | 2.0×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) |
| 誘電率 | 9.6500000000000004 |
| 安定性 | 安定。可燃性。強塩基、強酸化剤とは相容れない。 |
| InChI | 1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2 |
| InChIKey | KJDRSWPQXHESDQ-UHFFFAOYSA-N |
| SMILES | ClCCCCCl |
| LogP（分配係数） | 2.81 |
| CAS データベース | 110-56-5(CAS DataBase Reference) |
| NISTの化学物質情報 | 1,4-Dichlorobutane(110-56-5) |
| EPAの化学物質情報 | 1,4-Dichlorobutane (110-56-5) |
化学的特性
colourless liquid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 0.4% (1 of 224) of reports.WarningH226 (99.6%): Flammable liquid and vapor [Warning Flammable liquids]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, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 224 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, 1,4-dichloro-Status: Active Update: 20-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/199141,4-Dichlorobutane: Does not have an individual approval but may be used under an appropriate group standard |
| 輸送ラベル（DOT） | Flammable Liquid |
| 火災危険 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 健康有害性 | ACUTE/CHRONIC HAZARDS: Irritant. (NTP, 1992) |
| 有害性の概要 | An irritant[NTP] May cause eye irritation[Alfa Aesar MSDS] See 1,2-Dichlorobutane and 1,3-Dichloropropane. |
| 反応性グループ | Halogenated Organic Compounds |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | Halogenated aliphatic compounds, such as 1,4-DICHLOROBUTANE, are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. This compound can react vigorously with oxidizing materials. (NTP, 1992) |
| Air and Water Reactions | Highly flammable. Insoluble in water. |
| Hazard Classes and Categories | Flam. Liq. 3 (99.6%) |
| 消火 |
用途
使用
Used in organic synthesis including adiponitrile. It is also used as an active pharmaceutical intermediate. 1,4-dichlorobutane (1,4-DCB) can be used as an organic solvent (O) for ion-transfer voltammetry at water (W) interface.
一般的な説明
Colorless mobile liquid with a mild pleasant odor.