3-フルオロピリジン1-オキシド

Pyridine, 3-fluoro-, 1-oxide

HCID 123084

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 695-37-4
標準SMILES: [O-][n+]1cccc(F)c1
InChIKey: QVGBDRDOWKIYHK-UHFFFAOYSA-N
分子式: C5H4FNO
平均分子量: 113.09 g/mol
単同位体質量: 113.02769197

名称と識別子

優先名称: Pyridine, 3-fluoro-, 1-oxide
IUPAC: 3-fluoro-1-oxidopyridin-1-ium
現地名: 3-フルオロピリジン1-オキシド
英語名: 3-Fluoropyridine N-oxide
分子式: C5H4FNO
分子量: 113.09

名称と別名

3-Fluoropyridine 1-oxide695-37-43-fluoropyridin-1-ium-1-olatePyridine, 3-fluoro-, 1-oxideDTXSID40219730RefChem:870654DTXCID90142221677-001-33-Fluoropyridine N-oxide3-Fluoropyridine-N-oxide3-fluoro-1-oxidopyridin-1-iumMFCD03095181

名称をさらに表示

3-フルオロピリジン1-オキシド3-fluoro-1$l^{5}-pyridin-1-one3-fluoro-1-oxido-pyridin-1-ium3-fluoro-1-oxidanidyl-pyridin-1-ium3-FLUOROPYRIDINE N-OXIDE ISO 9001：2015 REACH

3-Fluoropyridine-1-oxide3-Fluoropyridine1-oxide1-oxido-3-fluoropyridine3-fluoro-pyridine 1-oxide3-fluoro-pyridine-1-oxideSCHEMBL506482SCHEMBL1515580SCHEMBL6552079

データベース識別子

CAS: 695-37-4
PubChem CID: 123084
DTXSID: DTXSID40219730
EC Number: 677-001-3
Nikkaji: J946.823D

物性

構造計算による物性

XLogP: -0.2
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: 2
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 78.8

物理化学的性質

融点: 65 · 65-68°C
沸点: 275 ℃ · 275℃
比重(密度): 1.18 · 1.18
闪点: 120 ℃ · 120℃
酸解離定数(Pka): 0.16 · 0.16±0.10(Predicted)
水溶解度: 水にわずかに溶ける。
CAS データベース: 695 · 695-37-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (20%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (20%)

安全データ

hs_code: 2933399990
risk_code: 36/37/38
safety_code: 26-36

化学と産業

応用分野 · 2 件

説明3-Fluoropyridine N-oxide is an important organic synthetic intermediate and chemical reagent. It introduces a fluorine atom at the meta position of the pyridine ring and activates the entire molecule through the N-oxide group, giving it unique applications in medicinal chemistry, materials science, and radioisotope labeling. It is typically a white or slightly yellow solid used to construct more complex molecular structures.

使用3-FLUOROPYRIDINE N-OXIDE is utilized as a reagent in organic synthesis, particularly for the preparation of heterocyclic compounds. Known for its mild toxicity and limited environmental impact, 3-Fluoropyridine N-oxide is a favorable choice for various industrial and research applications.