tert-Butyldimethylsilyl chloride (HCID 28928)

概要

Tert-butyldimethylsilyl chloride is a silyl chloride consisting of a central silicon atom covalently bound to one chloro, one tert-butyl and two methyl groups. tert-Butyldimethylsilyl chloride is a derivatisation agent used in gas chromatography/mass spectrometry applications. It has a role as a chromatographic reagent.

名称と識別子

優先名称: tert-Butyldimethylsilyl chloride
IUPAC: tert-butyl-chloro-dimethylsilane
現地名: tert-ブチルジメチルクロロシラン
英語名: tert-Butyldimethylsilyl chloride
分子式: C6H15ClSi
分子量: 150.72

名称と別名

Tert-Butyldimethylsilyl chloride18162-48-6tert-Butyldimethylchlorosilanet-ButyldimethylchlorosilaneTBDMS chlorideSilane, chloro(1,1-dimethylethyl)dimethyl-Chloro-tert-butyldimethylsilane2-(chlorodimethylsilyl)-2-methylpropane550OPF5Z9FCHEBI:85071TBMCS cpdt-butyldimethylchlorsilane

名称をさらに表示

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(tert-ブチル)ジメチルクロロシランクロロtert-ブチルジメチルシランtert-ブチルジメチルシリルクロリドt-ブチルジメチルクロロシラン塩化TERT-ブチルジメチルシリルクロライド塩化物ケイ素塩化 tert-ブチルジメチルシリルｔｅｒｔブチルクロロジメチルシランtert-ブチル（クロロ）ジメチルシランTERT‐ブチルジメチルシリルクロリドTERT-ブチルクロロジメチルシラン溶液塩化TERT-ブチルジメチルシリル溶液t-ブチルジメチルクロロシラン, min. 97%TBDMSCLTBSCITBDMSCItert-ButyldimethylsilylTBDMCl

RefChem:188237242-042-4tert-Butylchlorodimethylsilanetert-Butyl(chloro)dimethylsilaneTBSCltert-butyl-chloro-dimethylsilaneTBS-Clt-butyldimethylsilyl chloride

データベース識別子

CAS: 18162-48-6
PubChem CID: 28928
DTXSID: DTXSID4038843
ChEBI: CHEBI:85071
UNII: 550OPF5Z9F
EC Number: 242-042-4
Nikkaji: J47.875J

物性

構造計算による物性

極性表面積: 0 Å²
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

実験および物理化学的性質

Chemical ClassesToxic Gases & Vapors -> Chlorosilanes

SpringerMaterials PropertiesSchoenflies notation

Physical DescriptionWhite hygroscopic solid; [Merck Index] White crystals with a pungent odor; [Alfa Aesar MSDS]

物理化学的性質

融点: 86 · 86-89 °C (lit.)
沸点: 125 °C · 125 °C (lit.)
比重(密度): 0.87 g/mL · 0.87 g/mL at 20 °C(lit.)
蒸気圧: 60 · 60-710Pa at 25℃
屈折率: 20 · n20/D 1.46
闪点: 73 °F · 73 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 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。
外見: 液体
色: 無色透明
比重: 1.225 · 1.225
水溶解度: クロロホルム、酢酸エチルに可溶。水に不溶。
BRN: 505999 · 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: 2.5 at · 2.5 at 20℃
CAS データベース: 18162 · 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)

化学的性質 · 1 件

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.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 23.7% (56 of 236) of reports.

Danger

H228 (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.

危険有害性情報

Regulatory Information · 3 件

Chemical: Silane, chloro(1,1-dimethylethyl)dimethyl-

Status: Active Update: 30-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/28118

Silane, t-butylchlorodimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

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 acid; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; [Alfa Aesar MSDS] See Chlorotrimethylsilane.

Hazard Classes and CategoriesFlam. Sol. 1 (57.6%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F: 10-21
wgk: 2
tsca: TSCA listed
rtecs: VV2000000
ridadr: 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,
hs_code: 29310095
risk_code: 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
hazard_code: C,F,T,Xn
hazard_note: Flammable/Corrosive/Moisture Sensitive
safety_code: 26-36/37/39-46-62-45-25-16-28-27-33-29-53-36/37
hazard_class: 4.1
packing_group: III
Hazard Classifications: Aquatic Chronic 2Eye Dam. 1Flam. Sol. 1Skin Corr. 1A
ストレージクラス: 4.1B - Flammable solid hazardous materials

化学と産業

用途と製造

UsesUsed as a reagent; [Merck Index]

General Manufacturing InformationSilane, chloro(1,1-dimethylethyl)dimethyl-: ACTIVE

応用分野

用途ガスクロマトシリル化用。

調製方法 · 2 件

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.]

上流・下流製品情報

上流原料

1-リチオ-1,1-ジメチルエタンペンタンジクロロジメチルシラン tert-butyl-methoxy-dimethylsilane 2-クロロ-2-メチルプロパンヘキサンテトラヒドロフラン硝酸マグネシウム·6水和物

下流製品

４ニトロベンジル＝（４Ｒ，５Ｒ，６Ｓ）３［（ジフェノキシホスホリル）オキシ］６［（Ｒ）１ヒドロキシエチル］４メチル７オキソ１アザビシクロ［３．２．０］ヘプタ２エン２カルボキシラト (3R,4R)-4-アセトキシ-3-[(R)-(tert-ブチルジメチルシリルオキシ)エチル]-2-アゼチジノン 2-クロロ-4-ニトロフェニル-Α-L-フコピラノシドカルシポトリオールトリフルオロメタンスルホン酸tert-ブチルジメチルシリル 2-Cyanopyridine-4-carboxaldehyde 4-メルカプトフェニルボロン酸モンテルカスト 4-(Hydroxymethyl)picolinitrile 5-(Aminomethyl)-1-methylpyrrolidin-2-one シムバスタチン Bis(t-butyldimethylsiloxy)ethane

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補足説明 · 1 件

定義ChEBI: Tert-butyldimethylsilyl chloride is a silyl chloride consisting of a central silicon atom covalently bound to one chloro, one tert-butyl and two methyl groups. tert-Butyldimethylsilyl chloride is a derivatisation agent used in gas chromatography/mass spectrometry applications. It has a role as a chromatographic reagent.

tert-ブチルジメチルクロロシラン

基本情報

概要