クロロジメチル(1,1,2-トリメチルプロピル)シラン

Dimethylthexylsilyl chloride

HCID 144239CAS 67373-56-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)C(C)(C)[Si](C)(C)Cl
InChIKey: KIGALSBMRYYLFJ-UHFFFAOYSA-N
分子式: C8H19ClSi
平均分子量: 178.77 g/mol
単同位体質量: 178.09445482

名称と識別子

優先名称: Dimethylthexylsilyl chloride
IUPAC: chloro-(2,3-dimethylbutan-2-yl)-dimethylsilane
現地名: クロロジメチル(1,1,2-トリメチルプロピル)シラン
英語名: DIMETHYLTHEXYLSILYL CHLORIDE
分子式: C8H19ClSi
分子量: 178.78

名称と別名

67373-56-2Dimethylthexylsilyl chlorideThexyldimethylchlorosilaneDTXSID70217729RefChem:134385DTXCID70140220KIGALSBMRYYLFJ-UHFFFAOYSA-NChloro(dimethyl)thexylsilanechloro(2,3-dimethylbutan-2-yl)dimethylsilanechloro-(2,3-dimethylbutan-2-yl)-dimethylsilaneThexyldimethylsilyl chlorideChlorodimethyl(1,1,2-trimethylpropyl)silane

名称をさらに表示

クロロジメチル(1,1,2-トリメチルプロピル)シランクロロテキシルジメチルシランテキシルジメチルクロロシラン塩化ジメチルテキシルシリルクロロ(ジメチル)テキシルシランジメチルテキシルシリルクロリドクロロ(2,3-ジメチルブタン-2-イル)ジメチルシラン1,1,2-トリメチルプロピルクロロジメチルシランTDSCLChloro(dimethyl)thexylsilane 95%TDSCIDK359ThexyldimethylsilylchloridChlorothexyldimethylsilanen-diMethylhexylchlorosilane

MFCD00012175dimethylthexylsilylchlorideDimethyl-thexylchlorosilanetds-clDimethyl-(2,3-dimethyl-2-butyl)chlorosilaneSilane, chlorodimethyl(1,1,2-trimethylpropyl)-chlorodimethylthexylsilanethexyl-dimethylchlorosilane

データベース識別子

CAS: 67373-56-2
PubChem CID: 144239
DTXSID: DTXSID70217729
EC Number: 629-449-6
Nikkaji: J364.546K

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: 2
重原子数: 10
形式電荷: 0
複雑度: 116

実験および物理化学的性質

SpringerMaterials Properties29Si nuclear magnetic resonance spectrum

物理化学的性質

融点: 15 °C · 15 °C
沸点: 55 · 55-56 °C10 mm Hg(lit.)
比重(密度): 0.909 g/mL · 0.909 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.449(lit.)
闪点: 125 °F · 125 °F
貯蔵温度: 2 · Sealed in dry,2-8°C
溶解性: 2 Cl2 · THF、DMF、CH2Cl2 中のゾル。
外見: clear liquid
色: Colorless to Almost colorless
比重: 0.911 · 0.911
BRN: 3647960 · 3647960
InChI: 1S/C8H19ClSi/c1-7(2)8(3,4)10(5,6)9/h7H,1-6H3
InChIKey: KIGALSBMRYYLFJ-UHFFFAOYSA-N
SMILES: CC(C)C(C)(C)[Si](C)(C)Cl
CAS データベース: 67373 · 67373-56-2(CAS DataBase Reference)

化学的性質

化学的特性clear colorless to almost colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationSilane, chlorodimethyl(1,1,2-trimethylpropyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

F: 10-21
wgk: 3
tsca: No
ridadr: UN 2986 8/PG 2
hs_code: 29319090
risk_code: 10-34-37
消防法: 危-4-2-III
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 1 件

使用Silylating reagent for the protection of 1 and 2 alcohols and N-silylation of amines and amides; used in the preparation of thexyldimethylsilyl triflate; formation of α-silyl hydrazones; formylation of polyfluoroalkyl halides. Thexyldimethylsilyl chloride (TDS-Cl) was first introduced as a more easily prepared alternative to the more commonly used t-butyldimethylsilyl chloride for the protection of alcohols.

調製方法 · 2 件

製造方法To a mixture of dimethylchlorosilane (10 mL, 92 mmol) and AlCl3 (0.680 g, 5 mmol) at 25°Cwas added 2,3-dimethyl-2-butene (11 mL, 91 mmol). After stirring for 4 h at ambient temperature, the mixture was filtered and distilled to yield 15.2 g of TDS-Cl (93%).

純化方法Purify it by fractional distillation and store it in small aliquots in sealed ampoules. It is very sensitive to moisture and is estimated by dissolving an aliquot in excess of 0.1M NaOH and titrating with 0.1M HCl using methyl red as indicator [Szabó et al. Helv Chim Acta 67 2128 1984].