CAS 408502-23-8 2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (HCID 44754862)

基本情報

CAS: 408502-23-8
標準SMILES: COc1cc(B2OC(C)(C)C(C)(C)O2)ccn1
InChIKey: RLHAGSICYJAHMN-UHFFFAOYSA-N
分子式: C12H18BNO3
平均分子量: 235.09 g/mol
単同位体質量: 235.1379736

名称と識別子

優先名称: 2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC: 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
現地名: 2‐メトキシピリジン‐4‐ボロン酸ピナコールエステル
英語名: 2-METHOXYLYPYRIDINE-4-BORONIC ACID PINACOLATE
分子式: C12H18BNO3
分子量: 235.09

名称と別名

408502-23-82-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineDTXSID10660553RefChem:262553DTXCID50611302696-475-22-METHOXYPYRIDINE-4-BORONIC ACID PINACOL ESTER2-Methoxypyridine-4-boronic acid, pinacol esterMFCD073688672-METHOXYLYPYRIDINE-4-BORONIC ACID PINACOLATE2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-Methoxypyridine-4-boronic acid pinacol ester

名称をさらに表示

2‐メトキシピリジン‐4‐ボロン酸ピナコールエステル2-メトキシ-4-(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2-メトキシピリジン-4-ボロン酸ピナコールエステル2-methoxypyridine-4-borate acid2-methoxypyridine-4-boronic acid pinacolate2-Methoxy-4-pyridylboronic Acid Pinacol Ester2-Methoxylypyrinine-4-boronic acid pinacolate2-Methoxypyridine-4-boronic acid, pinacol ester 97%2-(2-Methoxy-4-pyridyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-Methoxypyridine-4-boronicAcidPinacolEsterPyridine, 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SCHEMBL132871SCHEMBL29674232RLHAGSICYJAHMN-UHFFFAOYSA-NAKOS007930490AB32115CS-W005511

物性

構造計算による物性

極性表面積: 40.6 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: 267

物理化学的性質

融点: 36 °C · 36 °C
沸点: 329.1 · 329.1±27.0 °C(Predicted)
比重(密度): 1.06 · 1.06±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
溶解性: soluble in Methanol
外見: powder to lump
酸解離定数(Pka): 2.56 · 2.56±0.10(Predicted)
色: White to Almost white

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.