5-ブロモ-2-クロロピリジン1-オキシド

5-Bromo-2-chloro-1-oxo-1lambda~5~-pyridine

HCID 16218324

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 889865-43-4
標準SMILES: [O-][n+]1cc(Br)ccc1Cl
InChIKey: ZNOXDBXBFJQERJ-UHFFFAOYSA-N
分子式: C5H3BrClNO
平均分子量: 208.44 g/mol
単同位体質量: 206.90865

名称と識別子

優先名称: 5-Bromo-2-chloro-1-oxo-1lambda~5~-pyridine
IUPAC: 5-bromo-2-chloro-1-oxidopyridin-1-ium
現地名: 5-ブロモ-2-クロロピリジン1-オキシド
英語名: 5-Bromo-2-chloropyridine N-oxide
分子式: C5H3BrClNO
分子量: 208.44

名称と別名

889865-43-4DTXSID205848775-Bromo-2-chloro-1-oxo-1lambda~5~-pyridineRefChem:301597DTXCID205356425-Bromo-2-chloropyridine 1-oxide5-Bromo-2-chloropyridine N-oxide5-bromo-2-chloro-1-oxidopyridin-1-iumMFCD092651085-Bromo-2-chloropyridine1-oxide5-BROMO-2-CHLOROPYRIDIN-1-IUM-1-OLATE5-bromo-2-chloropyridine-N-oxide

名称をさらに表示

5-ブロモ-2-クロロピリジン1-オキシド133435Pyridine, 5-bromo-2-chloro-, 1-oxide5-Bromo-2-chloropyridine 1-oxide, 97%5-Bromo-2-chloropyridine N-oxide ISO 9001：2015 REACH

SCHEMBL1008408ZNOXDBXBFJQERJ-UHFFFAOYSA-NAKOS0160065415-Bromo-2-chloropyridine N-oxide, 97%AS-41354SY242864

データベース識別子

CAS: 889865-43-4
PubChem CID: 16218324
DTXSID: DTXSID20584877
EC Number: 693-968-4

物性

構造計算による物性

XLogP: 1.5
極性表面積: 25.5 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 103

物理化学的性質

融点: 115 · 115-119 °C
貯蔵温度: 0 · Store at 0-8 °C
外見: solid
InChI: 1S/C5H3BrClNO/c6-4-1-2-5(7)8(9)3-4/h1-3H
InChIKey: ZNOXDBXBFJQERJ-UHFFFAOYSA-N
SMILES: [O-][n+]1cc(Br)ccc1Cl

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, 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.