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)ピコリンアルデヒド

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

HCID 44754839

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1073354-14-9
標準SMILES: CC1(C)OB(c2ccc(C=O)nc2)OC1(C)C
InChIKey: FCWAOWVIYGJOPZ-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-2-carbaldehyde
IUPAC: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-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)ピコリンアルデヒド
英語名: 2-FORMYLPYRIDINE-5-BORONIC ACID PINACOLATE
分子式: C12H16BNO3
分子量: 233.07

名称と別名

5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbaldehydeRefChem:531684871-400-81073354-14-95-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinaldehyde2-Formylpyridinyl-5-boronic acid pinacol ester2-FORMYLPYRIDINE-5-BORONIC ACID PINACOLATE5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbaldehydeMFCD066595086-FORMYLPYRIDINE-3-BORONIC ACID, PINACOL ESTER2-FORMYLPYRIDINE-5-BORONIC ACID PINACOL ESTER6-Formylpyridine-3-boronic Acid Pinacol Ester

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)ピコリンアルデヒド2-formylpyridine-5-boronic acidolester2-Formylpyridin-5-ylboronic acid pinacolate2-dioxaborolan-2-yl)pyridine-2-carbaldehyde2-FORMYL-5-PYRIDINE BORONIC ACID PINACOL ESTER5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)picolinaldehyde

SCHEMBL9929090(6-FORMYLPYRIDIN-3-YL)BORONIC ACID PINACOL ESTERDTXSID70660539FCWAOWVIYGJOPZ-UHFFFAOYSA-NXH0342AKOS015996075AB25951GS-5878

データベース識別子

CAS: 1073354-14-9
PubChem CID: 44754839
DTXSID: DTXSID70660539
EC Number: 871-400-8

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: 345.5 · 345.5±27.0 °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
酸解離定数(Pka): 3.71 · 3.71±0.12(Predicted)
InChI: InChI=1S/C12H16BNO3/c1-11(2)12(3,4)17-13(16-11)9-5-6-10(8-15)14-7-9/h5-8H,1-4H3
InChIKey: FCWAOWVIYGJOPZ-UHFFFAOYSA-N
SMILES: C1(C=O)=NC=C(B2OC(C)(C)C(C)(C)O2)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]

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)

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