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)ニコチンアルデヒド

5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehyde

HCID 4992640

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 848093-29-8
標準SMILES: CC1(C)OB(c2cncc(C=O)c2)OC1(C)C
InChIKey: WVIMCYHOZKNOCS-UHFFFAOYSA-N
分子式: C12H16BNO3
平均分子量: 233.07 g/mol
単同位体質量: 233.12232377

名称と識別子

優先名称: 5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehyde
IUPAC: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehyde
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)ニコチンアルデヒド
英語名: 5-Formylpyridine-3-boronic acid pinacol ester
分子式: C12H16BNO3
分子量: 233.07

名称と別名

5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehydeRefChem:531685810-556-3848093-29-85-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinaldehyde5-Formylpyridine-3-boronic acid pinacol ester5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehydeMFCD04038759SCHEMBL522165SCHEMBL30639721DTXSID70407325WVIMCYHOZKNOCS-UHFFFAOYSA-N

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)ニコチンアルデヒド5-ホルミル-3-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)ピリジン5-Formyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (5-formylpyridin-3-yl)boronate3-Pyridinecarboxaldehyde, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehyde - [T13745]5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinaldehyde, 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxaldehyde, 3-Formyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridi ne

YIB093295-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine-3-carbaldehydeAKOS015950196AB17198AC-33448DS-14896SY0205715-formylpyridin-3-boronic acid pinacol ester

データベース識別子

CAS: 848093-29-8
PubChem CID: 4992640
DTXSID: DTXSID70407325
EC Number: 810-556-3

物性

構造計算による物性

極性表面積: 48.4 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 17
形式電荷: 0
複雑度: 290

物理化学的性質

沸点: 365.1 · 365.1±27.0 °C(Predicted)
比重(密度): 1.1 · 1.10
貯蔵温度: 2 · 2-8°C, stored under nitrogen
外見: solid
酸解離定数(Pka): 3.42 · 3.42±0.22(Predicted)
色: light brown

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.