化工社化工社 化学情報印刷レポート · 研究参考用
トリクロロ酢酸メチル
トリクロロ酢酸メチル · トリクロロ酢酸メチル STANDARD · トリクロロ酢酸メチル Standard, 100 µg/mL in MeOH · トリクロロ酢酸メチル, 20 µg/mL in MtBE · methyl 2,2,2-trichloroacetate · oroacetate · TCA-Methyl est · TCA-METHYL ESTER
識別子と物理属性
| CAS No. | 598-99-2 |
|---|---|
| 分子式 | C3H3Cl3O2 |
| 平均分子量 | 177.41 g/mol |
| 単同位体質量 | 175.91986238 g/mol |
| SMILES | COC(=O)C(Cl)(Cl)Cl |
| InChIKey | VHFUHRXYRYWELT-UHFFFAOYSA-N |
| PubChem CID | 11739 |
| EC No. | 209-960-7 |
| DTXSID | DTXSID0060517 |
| 現地名 | トリクロロ酢酸メチル |
化学・物理的性質
| XLogP | 2 |
|---|---|
| 極性表面積 | 26.3 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 1 |
| 重原子数 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 95.2 |
| 物質分類 | Other Classes -> Chloroacetic Acid Derivatives |
| SpringerMaterials Properties | Chemical shift |
| LogP（分配係数） | 2.03 |
| 蒸気圧 | 5.5 [mmHg] |
| Physical Description | Methyl trichloroacetate appears as a colorless liquid. Insoluble in water and denser than water. Contact may slightly irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.[CAMEO] |
| 融点 | -18°C |
| 沸点 | 152-153 °C (lit.) |
| 密度 | 1.488 g/mL at 25 °C (lit.) |
| 屈折率 | n20/D 1.455(lit.) |
| 引火点 | 163 °F |
| 貯蔵条件 | room temp |
| 溶解度 | 1050mg/l水に不溶 |
| 外観・状態 | clear liquid |
| 色 | Colorless to Almost colorless |
| BRN | 1756075 |
| 誘電率 | 8.7899999999999991 |
| InChI | 1S/C3H3Cl3O2/c1-8-2(7)3(4,5)6/h1H3 |
| InChIKey | VHFUHRXYRYWELT-UHFFFAOYSA-N |
| SMILES | COC(=O)C(Cl)(Cl)Cl |
| LogP（分配係数） | 2.03 |
| CAS データベース | 598-99-2(CAS DataBase Reference) |
| NISTの化学物質情報 | Acetic acid, trichloro-, methyl ester(598-99-2) |
| EPAの化学物質情報 | Acetic acid, 2,2,2-trichloro-, methyl ester (598-99-2) |
化学的特性
Colorless clear liquid
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 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: Acetic acid, trichloro-, methyl esterStatus: Active Update: 24-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11414Methyl trichloroacetate: 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） | Poison |
| 火災危険 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:· Combustible material: may burn but does not ignite readily. |
| 健康有害性 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / 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 | May cause mild irritation[CAMEO] A skin and strong eye irritant[Sigma-Aldrich MSDS] See Trichloroacetic acid and Sodium trichloroacetate. |
| 輸送番号・ガイド（DOT） | 2533 156 |
| 反応性グループ | Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters |
| Reactivity Profile | A halogenated ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. A mixture of the ester and trimethylamine reacted violently. Polymerization of a reactive dehydrochlorination of the ester was viewed as the most likely product, along with generous amounts of heat. |
用途
使用
Methyl trichloroacetate was used for negative staining of protein that allowed unmodified proteins to be recovered for biological studies or transblot for amino acid sequence.
一般的な説明
Methyl trichloroacetate appears as a colorless liquid. Insoluble in water and denser than water. Contact may slightly irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.