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ブロモメチルメチルエーテル
ブロモメチルメチルエーテル · ブロモ(メトキシ)メタン · (メトキシメチル)ブロミド · メチル(ブロモメチル)エーテル · メトキシブロモメタン · メトキシメチルブロミド · ブロモメチルメチルエ-テル · ブロモメチルメチルエーテル, TECH
識別子と物理属性
| CAS No. | 13057-17-5 |
|---|---|
| 分子式 | C2H5BrO |
| 平均分子量 | 124.96 g/mol |
| 単同位体質量 | 123.95237688 g/mol |
| SMILES | COCBr |
| InChIKey | JAMFGQBENKSWOF-UHFFFAOYSA-N |
| PubChem CID | 83093 |
| EC No. | 670-774-8 |
| DTXSID | DTXSID6065341 |
| 現地名 | ブロモメチルメチルエーテル |
化学・物理的性質
| XLogP | 0.9 |
|---|---|
| 極性表面積 | 9.2 |
| 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 | 4 |
| 形式電荷 | 0 |
| 複雑度 | 10 |
| 物質分類 | Other Classes -> Halogenated Ethers |
| SpringerMaterials Properties | Molecular structure |
| Physical Description | Colorless liquid with a pungent odor[Alfa Aesar MSDS] |
| 沸点 | 87 °C (lit.) |
| 密度 | 1.531 g/mL at 25 °C (lit.) |
| 屈折率 | n20/D 1.456(lit.) |
| 引火点 | 80 °F |
| 貯蔵条件 | 2-8°C |
| 溶解度 | Chloroform (Soluble), Methanol (Slightly)水にやや溶けにくい。 |
| 外観・状態 | clear liquid |
| 比重 | 1.531 |
| 色 | Colorless to Light yellow to Light orange |
| BRN | 1730853 |
| InChI | 1S/C2H5BrO/c1-4-2-3/h2H2,1H3 |
| InChIKey | JAMFGQBENKSWOF-UHFFFAOYSA-N |
| SMILES | COCBr |
| CAS データベース | 13057-17-5(CAS DataBase Reference) |
| NISTの化学物質情報 | Bromomethyl methyl ether(13057-17-5) |
| EPAの化学物質情報 | Methane, bromomethoxy- (13057-17-5) |
化学的特性
Colorless liquid
安全性と法規制
| GHS 分類 | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, 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 54 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Methane, bromomethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 有害性の概要 | An irritant and lachrymatorHarmful by ingestion and skin absorptionToxic by inhalationSuspected carcinogen[Alfa Aesar MSDS] See Chloromethyl methyl ether. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| 有害作用 | Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears. |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 輸送番号（UN） | UN 1992 3/PG 3 |
| 税関コード | 29091990 |
| 危険文句（R） | 10-20/21/22-36/37/38-40 |
| 消防法 | 危-4-2-III |
| 危険表示 | Xn |
| 安全措置（S） | 26-36/37 |
| 危険等級 | 6.1Acute Tox. 4 DermalCarc. 2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| 包装等級 | II |
| 貯蔵分類 | 3 - Flammable liquids |
用途
使用
Bromomethyl methyl ether is used as reagent for protection of OH groups as their methoxymethyl (MOM) ethers. It is used in enantiocontrolled synthesis of intermediate containing carbons 18 to 35 of the macrocyclic immunosuppressant FK-506. It was used in the synthesis of 1-methoxymethyl-4-tritylthio-2-azetidinone.