2,6-ジフルオロピリジン-4-ボロン酸

2,6-Difluoropyridine-4-boronic acid

HCID 2762747

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 401816-16-8
標準SMILES: OB(O)c1cc(F)nc(F)c1
InChIKey: KMEJCVYIVUQTSP-UHFFFAOYSA-N
分子式: C5H4BF2NO2
平均分子量: 158.9 g/mol
単同位体質量: 159.03031521

名称と識別子

優先名称: 2,6-Difluoropyridine-4-boronic acid
IUPAC: (2,6-difluoro-4-pyridinyl)boronic acid
現地名: 2,6-ジフルオロピリジン-4-ボロン酸
英語名: 2,6-Difluoropyridine-4-boronic acid
分子式: C5H4BF2NO2
分子量: 158.9

名称と別名

401816-16-82,6-Difluoropyridine-4-boronic acidDTXSID20376416RefChem:248393DTXCID80327444816-376-1(2,6-difluoropyridin-4-yl)boronic Acid2,6-Difluoro-4-pyridylboronic acidMFCD041142892,6-Difluoropyridin-4-ylboronic acid(2,6-difluoro-4-pyridyl)boronic acidBORONIC ACID, (2,6-DIFLUORO-4-PYRIDINYL)-

名称をさらに表示

2,6-ジフルオロピリジン-4-ボロン酸2,6-Difluoropyridine-4-boronicaciB-(2,6-Difluoro-pyridin-4-yl)boronic acidB-(2,6-difluoro-4-pyridinyl)-Boronic acidBoronic acid, B-(2,6-difluoro-4-pyridinyl)-Boronic acid, (2,6-difluoro-4-pyridinyl)- (9CI)2,6-Difluoropyridine-4-boronic acid ISO 9001：2015 REACH

SCHEMBL1181323KMEJCVYIVUQTSP-UHFFFAOYSA-NSBB0711242,6-difluoro-4-pyridyl-boronic acidAKOS005063808(2,6-difluoropyridin-4-yl)boronicAcidAB18047AS-39263

データベース識別子

CAS: 401816-16-8
PubChem CID: 2762747
DTXSID: DTXSID20376416
EC Number: 816-376-1

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: 5
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 128

物理化学的性質

沸点: 334 · 334.0±52.0 °C(Predicted)
比重(密度): 1.44 · 1.44±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): 5.46 · 5.46±0.11(Predicted)
外見: powder
色: White

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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, P305+P354+P338, P317, 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.