6-Bromo-2-nitropyridin-3-ol

HCID 21873808

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 443956-08-9
標準SMILES: O=[N+]([O-])c1nc(Br)ccc1O
InChIKey: GSGNTVQLHGOEMB-UHFFFAOYSA-N
分子式: C5H3BrN2O3
平均分子量: 218.99 g/mol
単同位体質量: 217.93270406

名称と識別子

優先名称: 6-Bromo-2-nitropyridin-3-ol
IUPAC: 6-bromo-2-nitropyridin-3-ol
英語名: 6-Bromo-2-nitro-pyridin-3-ol
分子式: C5H3BrN2O3
分子量: 218.99

名称と別名

6-Bromo-2-nitropyridin-3-ol443956-08-9DTXSID00619212RefChem:307451DTXCID60569966807-253-36-BROMO-2-NITRO-PYRIDIN-3-OLMFCD092612046-Bromo-3-hydroxy-2-nitropyridine2-BROMO-5-HYDROXY-6-NITROPYRIDINE6-bromo-2-nitro-3-pyridinol3-Pyridinol, 6-bromo-2-nitro-

名称をさらに表示

2-broMo-6-nitropyridin-3-ol6-Bromo-2-nitro-pyridine-3-olPYRIDINE DERIVATIVE443956-08-92-nitro-3-hydroxy-6-broMopyridine6-Bromo-3-hydroxy-2-nitropyridine 97%

SCHEMBL1809848SCHEMBL5149307SCHEMBL19122111SCHEMBL30152695GSGNTVQLHGOEMB-UHFFFAOYSA-NALBB-033958SBB055611AKOS015920201

データベース識別子

CAS: 443956-08-9
PubChem CID: 21873808
DTXSID: DTXSID00619212
EC Number: 807-253-3

物性

構造計算による物性

XLogP: 2.2
極性表面積: 78.9 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 160

物理化学的性質

沸点: 413 · 413.0±40.0 °C(Predicted)
比重(密度): 2.006 · 2.006±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
酸解離定数(Pka): -1.31 · -1.31±0.10(Predicted)
InChI: InChI=1S/C5H3BrN2O3/c6-4-2-1-3(9)5(7-4)8(10)11/h1-2,9H
InChIKey: GSGNTVQLHGOEMB-UHFFFAOYSA-N
SMILES: C1([N+]([O-])=O)=NC(Br)=CC=C1O

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.