CAS 519054-55-8 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuran (HCID 2795190)

基本情報

CAS: 519054-55-8
標準SMILES: CC1(C)OB(c2ccc3occc3c2)OC1(C)C
InChIKey: ZQCCCOMKYKVFFN-UHFFFAOYSA-N
分子式: C14H17BO3
平均分子量: 244.1 g/mol
単同位体質量: 244.1270748

名称と識別子

優先名称: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuran
IUPAC: 2-(1-benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
現地名: 5-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-1-ベンゾフラン
英語名: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran
分子式: C14H17BO3
分子量: 244.09

名称と別名

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuranRefChem:530055519054-55-82-(benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneBenzofuran-5-boronic acid pinacol ester5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran2-(1-benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneMFCD04115374DTXSID50383572AKOS015918450B58235-(4,4,5,5-tetramethyl-1,3-dioxaborolan-2-yl)-1-benzofuran

名称をさらに表示

5-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-1-ベンゾフラン5‐(4,4,5,5‐テトラメチル‐1,3,2‐ジオキサボロラン‐2‐イル)‐1‐ベンゾフラン2-(ベンゾフラン-5-イル)-4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン2-(Benzofuran-5-yl)2-dioxaborolan-2-yl)-1-benzofuranBenzo[b]furan-5-boronic acid, pinacol ester5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1-Ben5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]furan

Benzofuran, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SCHEMBL10148SCHEMBL29848539ZQCCCOMKYKVFFN-UHFFFAOYSA-NSBB099800BENZOFURAN-5-BORONIC ACID PINAB19948CS-W003183

物性

構造計算による物性

極性表面積: 31.6 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 18
形式電荷: 0
複雑度: 313

物理化学的性質

融点: 72 °C · 72 °C
沸点: 340 · 340.0±15.0 °C(Predicted)
比重(密度): 1.1 · 1.10±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: powder to crystal
色: White to Almost white

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.