2-ピリジンボロン酸

Pyridine-2-boronic acid

HCID 2762745

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 197958-29-5
標準SMILES: OB(O)c1ccccn1
InChIKey: UMLDUMMLRZFROX-UHFFFAOYSA-N
分子式: C5H6BNO2
平均分子量: 122.92 g/mol
単同位体質量: 123.0491586

名称と識別子

優先名称: Pyridine-2-boronic acid
IUPAC: pyridin-2-ylboronic acid
現地名: 2-ピリジンボロン酸
英語名: 2-Pyridineboronic acid
分子式: C5H6BNO2
分子量: 122.92

名称と別名

Pyridine-2-boronic acidRefChem:870726803-283-62-Pyridineboronic acid197958-29-5Pyridin-2-ylboronic Acid2-Pyridinylboronic acid2-pyridylboronic acidBoronic acid, B-2-pyridinyl-(pyridin-2-yl)boronic acidMFCD00151844pyridinylboronic acid

名称をさらに表示

2-ピリジンボロン酸ピリジン-2-ボロン酸2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINECAS:197958-29-52-PyridineboronicPyridin-2-bronic Acid2-PYRIDINEBORNIC ACID

2-Pyridinylboronicacidpyridin-2-yl boronic acidpyridin-2-yl-boronic acidAC-956DS-3761SY002440Pyridin-2-boronic Acidpyridylboronic acid

データベース識別子

CAS: 197958-29-5
PubChem CID: 2762745
DTXSID: DTXSID00376414
UNII: 7TM7U3Z8NK
EC Number: 803-283-6
Nikkaji: J1.486.163G

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: 9
形式電荷: 0
複雑度: 89

物理化学的性質

融点: 300 · >300
沸点: 308.8 · 308.8±34.0 °C(Predicted)
比重(密度): 1.22 · 1.22±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): 7.79 · 7.79±0.53(Predicted)
外見: solid
InChI: InChI=1S/C5H6BNO2/c8-6(9)5-3-1-2-4-7-5/h1-4,8-9H
InChIKey: UMLDUMMLRZFROX-UHFFFAOYSA-N
SMILES: C1(B(O)O)=NC=CC=C1
CAS データベース: 197958 · 197958-29-5(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 · 5 件

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (97.4%)；STOT SE 3 (100%)

安全データ

wgk: 3
hs_code: 2933399990
risk_code: 36/37/38-41-37/38
hazard_code: Xi
hazard_note: Irritant/Keep Cold under -20C
safety_code: 26-36/37/39-39
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用2-Pyridineboronic Acid is used in organic synthesis as a reagent in Suzuki cross-coupling reactions, for example in the synthesis of aryl- and heteroaryl-substituted 3-benzyloxyisothiazoles and novel fluorescent 3-aryl- and 3-methyl-7-aryl-[1,2,3]triazolo[1,5-a]pyridines.