(4-ブロモフェニルエチニル)トリメチルシラン

(4-Bromophenylethynyl)trimethylsilane

HCID 4226980

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 16116-78-2
標準SMILES: C[Si](C)(C)C#Cc1ccc(Br)cc1
InChIKey: RNMSGCJGNJYDNS-UHFFFAOYSA-N
分子式: C11H13BrSi
平均分子量: 253.21 g/mol
単同位体質量: 251.99698905

名称と識別子

優先名称: (4-Bromophenylethynyl)trimethylsilane
IUPAC: 2-(4-bromophenyl)ethynyl-trimethylsilane
現地名: (4-ブロモフェニルエチニル)トリメチルシラン
英語名: (4-Bromophenylethynyl)trimethylsilane
分子式: C11H13BrSi
分子量: 253.21

名称と別名

16116-78-2(4-Bromophenylethynyl)trimethylsilaneDTXSID30401021RefChem:208650DTXCID90351876835-531-4((4-Bromophenyl)ethynyl)trimethylsilane2-(4-bromophenyl)ethynyl-trimethylsilaneC11H13BrSiMFCD018635562-(4-bromophenyl)ethynyl-trimethyl-silane[(4-bromophenyl)ethynyl]trimethylsilane

名称をさらに表示

(4-ブロモフェニルエチニル)トリメチルシラン(4-ブロモフェニルエチニル)トリメチルシラン, 98%1-Bromo-4-[2-(trimethylsilyl)ethynyl]benzeneDK567(4-Bromophenyl)Trimethylsilylacetylene(2-(4-bromophenyl)ethynyl)trimethylsilane(4-BroMophenylethynyl)triMethylsilane 98%(4-BROMOPHENYLETHYNYL)TRIMETHYLSILANE, 9 8%((4-Bromophenyl)ethynyl)trimethylsilane - [B54598]

BENZENE, 1-BROMO-4-[2-(TRIMETHYLSILYL)ETHYNYL]-(4-bromo-phenylethynyl)-trimethyl-silaneSCHEMBL613688p-bromophenylethynyl trimethylsilane4-trimethylsilylethynyl bromo benzeneAKOS015913496AB10391DS-5170

データベース識別子

CAS: 16116-78-2
PubChem CID: 4226980
DTXSID: DTXSID30401021
EC Number: 835-531-4
Nikkaji: J832.815C

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: 13
形式電荷: 0
複雑度: 219

物理化学的性質

融点: 61 · 61-63 °C(lit.)
沸点: 60 · 60-80°C/0.2mmHg
比重(密度): 1 · 1,192 g/cm3
貯蔵温度: 2 · 2-8°C
外見: 粉
色: 白から黄色
比重: 1.192 · 1.192
InChI: InChI=1S/C11H13BrSi/c1-13(2,3)9-8-10-4-6-11(12)7-5-10/h4-7H,1-3H3
InChIKey: RNMSGCJGNJYDNS-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(C#C[Si](C)(C)C)C=C1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
tsca: No
hs_code: 2931.90.6000
risk_code: 36/37/38
safety_code: 26-36/37/39
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用(4-Bromophenylethynyl)trimethylsilane may be used to synthesize:1-bromo-4-ethynylbenzene4-(4-bromophenyl)-3-butyn-2-one4-ethynyl-4′-tert-butylbiphenyl1,4-bis[2-(4-bromophenyl)ethynyl]-2,5-dihexylbenzene

一般的な説明(4-Bromophenylethynyl)trimethylsilane can be synthesized by the palladium catalyzed reaction between 4-bromo-1-iodobenzene and trimethylsilylacetylene. It undergoes Buchwald-Hartwig coupling with para-substituted diphenylamines.