化工社化工社 化学情報印刷レポート · 研究参考用
メチルクロロホルマート
クロロぎ酸メチル · メチルクロロホルマート · (炭酸メチル)クロリド · メトキシぎ酸クロリド · クロロ炭酸メチル · クロリド炭酸メチル · カルボノクロリジン酸メチル · メトキシメタン酸クロリド
識別子と物理属性
| CAS No. | 79-22-1 |
|---|---|
| 分子式 | C2H3ClO2 |
| 平均分子量 | 94.5 g/mol |
| 単同位体質量 | 93.98215702 g/mol |
| SMILES | COC(=O)Cl |
| InChIKey | XMJHPCRAQCTCFT-UHFFFAOYSA-N |
| PubChem CID | 6586 |
| ChEMBL | CHEMBL3182300 |
| EC No. | 201-187-3 |
| DTXSID | DTXSID0024185 |
| 現地名 | メチルクロロホルマート |
化学・物理的性質
| XLogP | 1.2 |
|---|---|
| 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 | 5 |
| 形式電荷 | 0 |
| 複雑度 | 42.9 |
| 物質分類 | Toxic Gases & Vapors -> Acid HalidesCorrosives |
| SpringerMaterials Properties | Coriolis coupling |
| 農薬 | Pesticide -> EPA IRIS |
| 臭い | Unpleasant, acrid刺激的。 |
| 密度 | 1.223 at 68 °F (EPA, 1998) - Denser than waterwill sink1.223 @ 20 °C/4 °CRelative density (water = 1): 1.221.22 @ 20°C1.223 g/mL at 25 °C(lit.) |
| Color/Form | CLEAR LIQUID |
| 溶解度 | SOL IN CHLOROFORM, BENZENE, IN ALL PROPORTIONS IN ALCOHOL, ETHERSolubility in water: poorクロロホルム、酢酸エチル加水分解 |
| Corrosivity | Corrodes rubber |
| 引火点 | 54 °F (EPA, 1998)12 °C24.4 °C (Tag open cup), 17.8 °C (Tag closed cup)76 °F (open cup)73 °F (closed cup)64 °F |
| 沸点 | 160 °F at 760 mmHg (EPA, 1998)71.0 °C71 °C70.5 °C @760 [mm Hg]70-72 °C(lit.) |
| Decomposition | WHEN HEATED TO DECOMPOSITION, EMITS HIGHLY TOXIC FUMES OF METHYL CHLOROFORMATE AND PHOSGENE. |
| 融点 | less than -114 °F (USCG, 1999)Less than -114 °F= less than -81 °C= less than 192 deg K-61 °C-61°C |
| 蒸気密度 | 3.26 (vs air) |
| 蒸気圧 | 4.8 psi ( 20 °C) |
| 屈折率 | n20/D 1.387(lit.) |
| 貯蔵条件 | Store at 0-5°C |
| 外観・状態 | 液体 |
| 色 | 無色透明～薄黄色 |
| Merck | 13,6071 |
| 誘電率 | 12.9 |
| 安定性 | 湿気に敏感 |
| CAS データベース | 79-22-1(CAS DataBase Reference) |
| NISTの化学物質情報 | Carbonochloridic acid, methyl ester(79-22-1) |
| EPAの化学物質情報 | Methyl chlorocarbonate (79-22-1) |
化学的特性
Methyl chloroformate is a colorless liquid with an unpleasant, acrid odor. This is a highly corrosive and flammable material. Decomposed by hot water; stable to cold water. Soluble in methanol alcohol, ether, and benzene.
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, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P362+P364, P363, P370+P378, P403+P233, 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, P240, P241, P242, P243, P260, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Hazards Identification | Toxic/poison by inhalation (TIH/PIH) |
| 規制情報 | Chemical: Carbonochloridic acid, methyl esterCarbonochloridic acid, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Carbonochloridic acid, methyl ester 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: 15-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13903Methyl chloroformate: HSNO Approval: HSR006728 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.) |
| その他の安全情報 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| 輸送ラベル（DOT） | Poison Inhalation Hazard Flammable Liquid Corrosive |
| 火災危険 | This chemical is very dangerous when exposed to heat sources, sparks, flame, or oxidizers. It will react with water or steam to produce toxic and corrosive fumes. Vapors may travel to a source of ignition and flash back. Withdraw immediately in case of rising sound from venting safety device or any discoloration of tank due to fire. Toxic fumes of phosgene are produced when the material is heated to decomposition. Heat or steam should be avoided. (EPA, 1998)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
用途
用途
有機合成化学において、求核剤にメトキシカルボニル基を導入するのに用いられる。
使用
Chloroformic Acid Methyl Ester is used in the synthesis of a new class of potent Cdk4 inhibitors in the treatment of cancer. Also used in the synthesis of Phorboxazole B.
一般的な説明
A colorless liquid with a pungent odor. Flash point 54°F. Corrosive to metals and tissue. Vapors heavier than air. Very toxic by inhalation. Used to make other chemicals and insecticides.
製法・合成法
調製方法
Prepared from phosgene and methyl alcohol.