CAS 77123-57-0 4-(Trimethylsilylethynyl)benzaldehyde (HCID 2771643)

基本情報

CAS: 77123-57-0
標準SMILES: C[Si](C)(C)C#Cc1ccc(C=O)cc1
InChIKey: UZQDUXAJFTWMDT-UHFFFAOYSA-N
分子式: C12H14OSi
平均分子量: 202.32 g/mol
単同位体質量: 202.0813916

名称と識別子

優先名称: 4-(Trimethylsilylethynyl)benzaldehyde
IUPAC: 4-(2-trimethylsilylethynyl)benzaldehyde
現地名: 4-(トリメチルシリル)エチニルベンズアルデヒド
英語名: 4-(Trimethylsilyl)ethynylbenzaldehyde
分子式: C12H14OSi
分子量: 202.32

名称と別名

4-(trimethylsilylethynyl)benzaldehydeRefChem:517219878-916-277123-57-04-[(Trimethylsilyl)ethynyl]benzaldehyde4-((Trimethylsilyl)ethynyl)benzaldehyde4-(Trimethylsilyl)ethynylbenzaldehyde4-[2-(trimethylsilyl)ethynyl]benzaldehyde4-(2-trimethylsilylethynyl)benzaldehydeMFCD02093765DTXSID90377990p-trimethylsilylethynylbenzaldehyde

名称をさらに表示

4-(トリメチルシリル)エチニルベンズアルデヒド4-[(トリメチルシリル)エチニル]ベンズアルデヒド4-(トリメチルシリルエチニル)ベンズアルデヒド4-[2-(トリメチルシリル)エチニル]ベンズアルデヒドDK9024-[(TriMethylsilyl)ethynyl]benzaldehy4-[(trimethylsilyl)ethynyl]bezaldehyde4-[(Trimethysilyl)-ethynyl]benzaldehyde4-[(TriMethylsilyl)ethynyl]benzaldehyde 97%Benzaldehyde, 4-[2-(trimethylsilyl)ethynyl]-4-((Trimethylsilyl)ethynyl)benzaldehyde - [T55948]

4-trimethylsilanylethynyl-benzaldehydeSY081454T38274-(2-(TRIMETHYLSILYL)ETHYNYL) BENZALDEHYDE4-(2-(trimethylsilyl)ethynyl)benzaldehyde4-trimethylsiBenzaldehyde, 4-[(trimethylsilyl)ethynyl]-SCHEMBL701214

データベース識別子

CAS: 77123-57-0
PubChem CID: 2771643
DTXSID: DTXSID90377990
EC Number: 878-916-2
Nikkaji: J1.067.536G

物性

構造計算による物性

極性表面積: 17.1 Å²
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: 3
重原子数: 14
形式電荷: 0
複雑度: 255

物理化学的性質

融点: 66 · 66-70 °C(lit.)
沸点: 262.1 · 262.1±32.0 °C(Predicted)
比重(密度): 0.98 · 0.98±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
InChI: 1S/C12H14OSi/c1-14(2,3)9-8-11-4-6-12(10-13)7-5-11/h4-7,10H,1-3H3
InChIKey: UZQDUXAJFTWMDT-UHFFFAOYSA-N
SMILES: C[Si](C)(C)C#Cc1ccc(C=O)cc1

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
hs_code: 2931900090
hazard_code: T
hazard_class: IRRITANT
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用4-(Trimethylsilyl)ethynylbenzaldehyde is a useful reactant for the synthesis of acetylene-substituted naphthalene diimides in polar solvents.

一般的な説明4-[(Trimethylsilyl)ethynyl]benzaldehyde can be synthesized by reacting 4-bromobenzaldehyde and triphenylphosphine in anhydrous triethylamine with ethynyltrimethylsilane and then with palladium(II) acetate under argon. It can also be prepared by Sonogashira coupling reaction between 4-bromobenzaldehyde and (trimethylsilyl) ethynyl.