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2-クロロブタン
2-クロロブタン · 塩化SEC-ブチル · sec-ブチルクロライド · ２クロロブタン · 塩化 sec-ブチル · sec-ブチルクロリド · 2‐クロロブタン · 2-クロロブタン, 98+%
識別子と物理属性
| CAS No. | 78-86-4 |
|---|---|
| 分子式 | C4H9Cl |
| 平均分子量 | 92.57 g/mol |
| 単同位体質量 | 92.039278 g/mol |
| SMILES | CCC(C)Cl |
| InChIKey | BSPCSKHALVHRSR-UHFFFAOYSA-N |
| PubChem CID | 6563 |
| ChEMBL | CHEMBL346529 |
| ChEBI | CHEBI:166855 |
| EC No. | 201-151-7 |
| DTXSID | DTXSID9023966 |
| 現地名 | 2-クロロブタン |
化学・物理的性質
| XLogP | 2.3 |
|---|---|
| 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 | 5 |
| 形式電荷 | 0 |
| 複雑度 | 19 |
| 密度 | 0.873 @25 °C0.873 g/mL at 25 °C (lit.) |
| 沸点 | 68.5 °C @760 [mm Hg]68-70 °C (lit.) |
| 蒸気圧 | 157.0 [mmHg]160 hPa (20 °C) |
| Physical Description | Liquiddl-Form: Liquid with a pleasant odor[Merck Index] Clear colorless liquid[Aldrich MSDS] |
| Kovats Retention Index | 598.38598.87601600.4611589582586588591599609616 |
| 融点 | -140 °C (lit.) |
| 屈折率 | n20/D 1.396(lit.) |
| 引火点 | 5 °F |
| 貯蔵条件 | Store below +30°C. |
| 溶解度 | 1.0g/l混和しない |
| 外観・状態 | 液体 |
| 色 | 無色透明～微黄色透明 |
| pH | 7 (H2O, 20℃)Aqueous solution |
| 爆発限界 | 2.0-8.8%(V) |
| Merck | 14,1561 |
| BRN | 1718770 |
| ヘンリー定数 | 4.1×10-4 mol/(m3Pa) at 25℃, Brockbank (2013) |
| 誘電率 | 8.5600000000000005 |
| 安定性 | 安定。可燃性 - 引火点が低いことに注意してください。空気と爆発性混合物を形成する可能性があります。強力な酸化剤とは相容れない。 |
| InChI | 1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3 |
| InChIKey | BSPCSKHALVHRSR-UHFFFAOYSA-N |
| SMILES | CCC(C)Cl |
| LogP（分配係数） | 2.72 at 25℃ |
| CAS データベース | 78-86-4(CAS DataBase Reference) |
| NISTの化学物質情報 | Butane, 2-chloro-(78-86-4) |
| EPAの化学物質情報 | 2-Chlorobutane (78-86-4) |
化学的特性
colourless liquid
安全性と法規制
| GHS 分類 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H290 (62.6%): May be corrosive to metals [Warning Corrosive to Metals]H315 (11.8%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (11.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (11.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (62.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P210, P233, P234, 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, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 187 reports by companies from 7 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. |
|---|---|
| 規制情報 | Chemical: Butane, 2-chloro-Butane, 2-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane, 2-chloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 09-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5783Butane, 2-chloro-: HSNO Approval: HSR001385 Approved with controlsThe 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.) |
| 有害性の概要 | May cause irritation[Aldrich MSDS] See 1,2-Dichlorobutane. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%)Met. Corr. 1 (62.6%)Skin Irrit. 2 (11.8%)Eye Irrit. 2 (11.8%)STOT SE 3 (11.8%)Aquatic Chronic 3 (62.6%)Flammable agents - 3rd degree |
| Protective Action Criteria (PAC) | 5.2 [ppm]57 [ppm]340 [ppm] |
| 有害作用 | Neurotoxin - Acute solvent syndrome |
| EPA IRIS Information | 2-Chlorobutane |
| Toxicity Data | LCLo (rat) = 8,000 ppm/4hr |
| EPA Provisional Peer-Reviewed Toxicity Values | 2-ChlorobutanePDF Document2005 |
| 水環境危害等級（WGK） | 2 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | EJ6475000 |
| 輸送番号（UN） | UN 1127 3/PG 2 |
| 毒性 | LD50 orally in Rabbit: 17400 mg/kg LD50 dermal Rabbit 17400 mg/kg |
| 税関コード | 29031980 |
| 危険文句（R） | 11 |
| 化審法 | (2)-60 |
| 消防法 | 危-4-1-II |
| 危険表示 | F |
| 安全措置（S） | 16-29-7/9-9 |
| 危険等級 | 3Flam. Liq. 2 |
| 包装等級 | II |
| 自然発火温度 | 460 °C |
| 貯蔵分類 | 3 - Flammable liquids |
用途
用途
有機合成原料。
使用
2-Chlorobutane is used as a solvent and intermediate in organic synthesis. Further, it is involved in the preparation of active pharmaceutical ingredients, plasticizer, rubber, resin and surfactants.
製法・合成法
純化方法
Purify it in the same way as n-butyl chloride. [Beilstein 1 IV 248.]