2-Fluoropyridine (HCID 9746)

名称と識別子

優先名称: 2-Fluoropyridine
IUPAC: 2-fluoropyridine
現地名: 2-フルオロピリジン
英語名: 2-Fluoropyridine
分子式: C5H4FN
分子量: 97.09

名称と別名

2-Fluoropyridine372-48-5PYRIDINE, 2-FLUORO-WKQ4JPY48SAI3-28562NSC-5077DTXSID70190689RefChem:87187DTXCID60113180206-757-5Pyridine, fluoro-MFCD00006224

名称をさらに表示

2-フルオロピリジン2‐フルオロピリジン2-CYANOPHENYLBORONIC ACID2-Fluoropyride2-Fluorpyridin2-fluoro-pyridin2-Fluoroypyridine2-Fluorpyridin CAS2-fluoride pyridine

o-fluoropyridineCCRIS 1725NSC 50772-Fluoropyridine; 2-Pyridyl Fluoride; NSC 5077;EINECS 206-757-5BRN 0001515fluoropyridine2Fluoropyridine

データベース識別子

CAS: 372-48-5
PubChem CID: 9746
DTXSID: DTXSID70190689
ChEMBL: CHEMBL1162360
UNII: WKQ4JPY48S
EC Number: 206-757-5
Nikkaji: J43D

物性

構造計算による物性

XLogP: 0.8
極性表面積: 12.9 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: 7
形式電荷: 0
複雑度: 56

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Pyridines

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP0.84

Vapor Pressure26.6 [mmHg]

Physical DescriptionClear dark brown liquid; [Sigma-Aldrich MSDS]

物理化学的性質

沸点: 126 °C/753 · 126 °C/753 mmHg (lit.)
比重(密度): 1.128 g/mL · 1.128 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.466(lit.)
闪点: 83 °F · 83 °F
貯蔵温度: 2 · Inert atmosphere,2-8°C
外見: 液体
酸解離定数(Pka): -0.44 · -0.44(at 25℃)
色: 無色透明～薄黄色
比重: 1.13 · 1.13
水溶解度: 水に溶ける。
BRN: 1515 · 1515
Dielectric constant: 37.29 · 37.289999999999999
InChI: InChI=1S/C5H4FN/c6-5-3-1-2-4-7-5/h1-4H
InChIKey: MTAODLNXWYIKSO-UHFFFAOYSA-N
SMILES: C1(F)=NC=CC=C1
CAS データベース: 372 · 372-48-5(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Fluoropyridine(372-48-5)

化学的性質

化学的特性CLEAR COLOURLESS TO LIGHT YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information2-Fluoropyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
rtecs: UT3900000
ridadr: UN 1993 3/PG 3
hs_code: 29333999
risk_code: 10-36/37/38-20/21/22
消防法: 危-4-2-III
hazard_code: Xi,F,Xn
hazard_note: Flammable/Irritant
safety_code: 26-36-36/37/39-16
hazard_class: 3
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用2-Fluoropyridine is a useful precursor of 2,3-disubstituted pyridines which is made by the possibility of metallation at C-3, together with the ready nucleophilic displacement of the activated fluorine. It can also react with thiophene to get 2-thiophen-2-yl-pyridine. It is used in the synthesis of aminopyridines.