(2-メチルピリジン-4-イル)ボロン酸

2-Methylpyridine-4-boronic acid

HCID 4192664

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 579476-63-4
標準SMILES: Cc1cc(B(O)O)ccn1
InChIKey: UFYBTLOLWSABAU-UHFFFAOYSA-N
分子式: C6H8BNO2
平均分子量: 136.95 g/mol
単同位体質量: 137.0648089

名称と識別子

優先名称: 2-Methylpyridine-4-boronic acid
IUPAC: (2-methyl-4-pyridinyl)boronic acid
現地名: (2-メチルピリジン-4-イル)ボロン酸
英語名: 2-Methylpyridine-4-boronic acid
分子式: C6H8BNO2
分子量: 136.94

名称と別名

2-Methylpyridine-4-boronic acid579476-63-4DTXSID00400622RefChem:263979DTXCID50351478640-238-8(2-methylpyridin-4-yl)boronic Acid2-Picoline-4-boronic acid2-methylpyridin-4-ylboronic acidMFCD030953642-Methylpyridine-4-boronicacid(2-Methyl-4-pyridinyl)boronic acid

名称をさらに表示

(2-メチルピリジン-4-イル)ボロン酸2-メチルピリジン-4-ほう酸4-Borono-2-methylpyridine2-METHYL-4-PYRIDINEBORIC ACID2-Methylpyridine-4-boronicaci2-METHYL-4-PYRIDINYLBORONIC ACID(2-Methylpyridine-4-yl)boronic acid

(2-Methyl-4-pyridinyl)-boronic acid2-METHYLPYRIDIN-4-YL-4-BORONIC ACID2-methylpyridin-4-boronic acid2-methyl-4-pyridine boronic acid2-METHYL-4-PYRIDINEBORONIC ACID(2-methyl-4-pyridyl)boronic acidBORONIC ACID, (2-METHYL-4-PYRIDINYL)-SCHEMBL8870

データベース識別子

CAS: 579476-63-4
PubChem CID: 4192664
DTXSID: DTXSID00400622
EC Number: 640-238-8
Nikkaji: J2.808.885J

物性

構造計算による物性

極性表面積: 53.4 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 110

物理化学的性質

沸点: 311.2 · 311.2±44.0 °C(Predicted)
比重(密度): 1.18 · 1.18±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
外見: crystalline powder
酸解離定数(Pka): 7 · 7+-.0.10(Predicted)
色: Cream
CAS データベース: 579476 · 579476-63-4(CAS DataBase Reference)

化学的性質

化学的特性white to light yellow crystal powder

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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.