tert-ブチルジメチルクロロシラン
tert-ブチルジメチルクロロシラン · (tert-ブチルジメチルシリル)クロリド · クロロジメチル-tert-ブチルシラン · クロロジメチルtert-ブチルシラン · クロロ(1,1-ジメチルエチル)ジメチルシラン · ジメチル-tert-ブチルクロロシラン · ジメチルtert-ブチルクロロシラン · tert-ブチルクロロジメチルシラン
識別子と物理属性
| CAS No. | 18162-48-6 |
|---|---|
| 分子式 | C6H15ClSi |
| 平均分子量 | 150.72 g/mol |
| 単同位体質量 | 150.06315469 g/mol |
| SMILES | CC(C)(C)[Si](C)(C)Cl |
| InChIKey | BCNZYOJHNLTNEZ-UHFFFAOYSA-N |
| PubChem CID | 28928 |
| ChEBI | CHEBI:85071 |
| EC No. | 242-042-4 |
| DTXSID | DTXSID4038843 |
| 現地名 | tert-ブチルジメチルクロロシラン |
化学・物理的性質
| 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 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 81 |
| 物質分類 | Toxic Gases & Vapors -> Chlorosilanes |
| SpringerMaterials Properties | Schoenflies notation |
| Physical Description | White hygroscopic solid[Merck Index] White crystals with a pungent odor[Alfa Aesar MSDS] |
| 融点 | 86-89 °C (lit.) |
| 沸点 | 125 °C (lit.) |
| 密度 | 0.87 g/mL at 20 °C(lit.) |
| 蒸気圧 | 60-710Pa at 25℃ |
| 屈折率 | n20/D 1.46 |
| 引火点 | 73 °F |
| 貯蔵条件 | Store below +30°C. |
| 溶解度 | THF、ジクロロメタン、DMF などのほとんどすべての一般的な有機溶媒に非常によく溶けます。クロロホルム、酢酸エチルに可溶。水に不溶。 |
| 外観・状態 | 液体 |
| 色 | 無色透明 |
| 比重 | 1.225 |
| BRN | 505999 |
| InChI | 1S/C6H15ClSi/c1-6(2,3)8(4,5)7/h1-5H3 |
| InChIKey | BCNZYOJHNLTNEZ-UHFFFAOYSA-N |
| SMILES | CC(C)(C)[Si](C)(C)Cl |
| LogP（分配係数） | 2.5 at 20℃ |
| CAS データベース | 18162-48-6(CAS DataBase Reference) |
| NISTの化学物質情報 | Silane, chloro(1,1-dimethylethyl)dimethyl-(18162-48-6) |
| EPAの化学物質情報 | Silane, chloro(1,1-dimethylethyl)dimethyl- (18162-48-6) |
化学的特性
tert-Butyldimethylsilyl chloride is a colorless or white solid that is soluble in many organic solvents but reacts with water and alcohols.It is an organosilicon compound that can be used as a versatile protecting reagent for alcohols, amines, amides, and various carboxylic acids.
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 23.7% (56 of 236) of reports.DangerH228 (57.6%): Flammable solid [Danger Flammable solids]P210, P240, P241, P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P370+P378, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 236 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Silane, chloro(1,1-dimethylethyl)dimethyl-Status: Active Update: 30-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/28118Silane, t-butylchlorodimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | Causes decreased immune response in intraperitoneal lethal-dose studies of mice (LDLo = 1,000 mg/kg)[RTECS] Corrosive[Merck Index] Reacts with water producing hydrochloric acidCauses burnsInhalation may cause corrosive injuries to upper respiratory tract[Alfa Aesar MSDS] See Chlorotrimethylsilane. |
| Hazard Classes and Categories | Flam. Sol. 1 (57.6%) |
| 有害作用 | Dermatotoxin - Skin burns. |
| F | 10-21 |
| 水環境危害等級（WGK） | 2 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | VV2000000 |
| 輸送番号（UN） | UN 2925 4.1/PG 2 |
| 毒性 | mouse,LDLo,intraperitoneal,1gm/kg (1000mg/kg),IMMUNOLOGICAL INCLUDING ALLERGIC: DECREASED IMMUNE RESPONSE,Personal Communication from G.D. Stoner, Dept. of Community Medicine, School of Medicine, Univ. of California, La Jolla, CA 92037, May 25, 1975Vol. 27MAY1975, |
| 税関コード | 29310095 |
| 危険文句（R） | 22-35-40-34-10-19-11-67-65-63-48/20-20/21/22-45-23/24/25-37-36/37/38 |
| 化審法 | (2)-2041 |
| 消防法 | 危-2-III |
| 危険表示 | C,F,T,Xn |
| hazard_note | Flammable/Corrosive/Moisture Sensitive |
| 安全措置（S） | 26-36/37/39-46-62-45-25-16-28-27-33-29-53-36/37 |
| 危険等級 | 4.1Aquatic Chronic 2Eye Dam. 1Flam. Sol. 1Skin Corr. 1A |
| 包装等級 | III |
| 貯蔵分類 | 4.1B - Flammable solid hazardous materials |
用途
用途
ガスクロマトシリル化用。
製法・合成法
製造方法
tert-butyldimethylsilyl chloride (TBSCI) was synthesized by the reaction of tert-butyllithium with dichlorodimethylsilane.The pentane solution of dichlorodimethylsilane was cooled to 0°C, and the pentane solution of tert-butyllithium was added dropwise with stirring under nitrogen. The temperature was maintained at 0 °C, stirred for 1.5 h and then heated to 25 °C, and the reaction was continued for 48 h. Distillation, collect 125 ℃ (97.5kPa) fractions, stand to solidify, and obtain tert-butyldimethylsilyl chloride. Yield 70%.
純化方法
Fractionally distil it at atmospheric pressure. [Sommer & Tyler J Am Chem Soc 76 1030 1954, Corey & Venkateswarlu J Am Chem Soc 94 6190 1972, Beilstein 4 IV 4076.]