イソ酪酸 クロリド
イソ酪酸 クロリド · 2-メチルプロパノイルクロリド · イソ酪酸クロリド · 2-メチルプロピオニルクロリド · 塩化イソブチリル · 2-メチルプロピオン酸クロリド · イソブチリルクロリド · 2-メチルプロパン酸クロリド
識別子と物理属性
| CAS No. | 79-30-1 |
|---|---|
| 分子式 | C4H7ClO |
| 平均分子量 | 106.55 g/mol |
| 単同位体質量 | 106.01854252 g/mol |
| SMILES | CC(C)C(=O)Cl |
| InChIKey | DGMOBVGABMBZSB-UHFFFAOYSA-N |
| PubChem CID | 62325 |
| EC No. | 201-194-1 |
| DTXSID | DTXSID0052542 |
| 現地名 | イソ酪酸 クロリド |
化学・物理的性質
| XLogP | 1.8 |
|---|---|
| 極性表面積 | 17.1 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 1 |
| 重原子数 | 6 |
| 形式電荷 | 0 |
| 複雑度 | 58.6 |
| 物質分類 | Toxic Gases & Vapors -> Acid HalidesFlammable agents - 3rd degree |
| SpringerMaterials Properties | Schoenflies notation |
| Physical Description | Isobutyryl chloride appears as a colorless liquid. Irritates skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.[Alfa Aesar MSDS] |
| 融点 | -90 °C (lit.) |
| 沸点 | 91-93 °C (lit.) |
| 密度 | 1.017 g/mL at 25 °C (lit.) |
| 蒸気圧 | 0.07 mm Hg ( 20 °C) |
| 屈折率 | n20/D 1.407(lit.) |
| 引火点 | 34 °F |
| 貯蔵条件 | Store below +30°C. |
| 溶解度 | クロロホルム、氷酢酸、エーテル、トルエン、塩化メチレン、ベンゼンと混和します。反応する |
| 外観・状態 | 液体 |
| 色 | クリア |
| 臭い | 悪臭 |
| pH | <7 (H2O) |
| 爆発限界 | 2.1-8.2%(V) |
| BRN | 605393 |
| InChI | 1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3 |
| InChIKey | DGMOBVGABMBZSB-UHFFFAOYSA-N |
| SMILES | CC(C)C(Cl)=O |
| CAS データベース | 79-30-1(CAS DataBase Reference) |
| NISTの化学物質情報 | 2-Methylpropanoyl chloride(79-30-1) |
| EPAの化学物質情報 | Propanoyl chloride, 2-methyl- (79-30-1) |
化学的特性
Colorless liquid.Soluble in ether; reacts with water and alcohol.
安全性と法規制
| GHS 分類 | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P234, P240, P241, P242, P243, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement) |
|---|---|
| Hazards Identification | Water-reactive material (WR) |
| 規制情報 | Status: Active Update: 20-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13467Isobutyryl chloride: 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 Corrosive |
| 火災危険 | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| 健康有害性 | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:· TOXIC and/or CORROSIVEinhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. |
| 有害性の概要 | A severe eye irritantCauses focal lung fibrosis and acute pulmonary edema in inhalation lethal-concentration studies of rats[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] |
| 輸送番号・ガイド（DOT） | 2395 155 |
| 反応性グループ | Acyl Halides, Sulfonyl Halides, and Chloroformates |
用途
使用
Isobutyryl chloride is used in the preparation of fully isobutyramide terminated hyperbranched polyethylenimines. It plays an important role in the separation and identification of shikonin and its ester derivatives in the root epidermis of Echium italicum L. It acts as an acylating agent for the ketimine derivatives of alfa-amino esters, nucleosides and pyrroles. Further, it is used in the preparation of organic peroxides. In addition to this, it is used as an intermediate for dyes, textile auxiliaries and peroxide compounds.
一般的な説明
A colorless liquid. Flash point near 50°F. Irritates skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.