3-Fluoropyridine (HCID 67794)

名称と識別子

優先名称: 3-Fluoropyridine
IUPAC: 3-fluoropyridine
現地名: 3-フルオロピリジン
英語名: 3-Fluoropyridine
分子式: C5H4FN
分子量: 97.09

名称と別名

3-Fluoropyridine372-47-4Pyridine, 3-fluoro-CCRIS 1717NSC 5078EINECS 206-755-4DTXSID10190688RefChem:93977Pyridine, 3-fluoro-(8CI)DTXCID50113179Pyridine, 3-fluoro-(8CI)(9CI)206-755-4

名称をさらに表示

3-フルオロピリジン3‐フルオロピリジン5-フルオロピリジン2503-Floro-pyridine3-Fluoroypyridine3-Fluoropyridine>Pyridine, 3-fluoro-3-Fluoropyridine 98%3-Fluoropyridine,98%3-Fluoropyridine,99%3-Fluoropyridine, 99% 1GR

CELKOWQJPVJKIL-UHFFFAOYSA-NInChI=1/C5H4FN/c6-5-2-1-3-7-4-5/h1-4MFCD00006374AP9KGY2VWZNSC-50783-fluropyridine3-fluoro-pyridineUNII-AP9KGY2VWZ

データベース識別子

CAS: 372-47-4
PubChem CID: 67794
DTXSID: DTXSID10190688
ChEMBL: CHEMBL1162361
UNII: AP9KGY2VWZ
EC Number: 206-755-4
Nikkaji: J150.742G

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

SpringerMaterials PropertiesCoriolis coupling

物理化学的性質

融点: 251 · 251-254°C (dec.)
沸点: 107 · 107-108 °C (lit.)
比重(密度): 1.13 g/mL · 1.13 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.472(lit.)
闪点: 56 °F · 56 °F
貯蔵温度: Inert atmosphere,Room Temperature
外見: 液体
酸解離定数(Pka): 1 · pK1:2.97(+1) (25°C)
比重: 1.13 · 1.130
色: クリアイエロー
BRN: 105702 · 105702
InChI: InChI=1S/C5H4FN/c6-5-2-1-3-7-4-5/h1-4H
InChIKey: CELKOWQJPVJKIL-UHFFFAOYSA-N
SMILES: C1=NC=CC=C1F
CAS データベース: 372 · 372-47-4(CAS DataBase Reference)
NISTの化学物質情報: 3 · 3-F-pyridine(372-47-4)

化学的性質

化学的特性clear, colorless to yellow liquid.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger 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 61 reports by companies from 11 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 CategoriesFlam. Liq. 2 (100%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 2
hs_code: 29333990
risk_code: 11-36/37/38-20/21/22
消防法: 危-4-1-II
hazard_code: F,Xi,Xn
hazard_note: Flammable/Irritant
safety_code: 16-26-36/37/39-33-7/9
hazard_class: 3
packing_group: II
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用3-Fluoropyridine was used in the synthesis of 3-halopyridin-4-yl-boronic acids and esters.

一般的な説明3-Fluoropyridine is oxidized to corresponding N-oxides, which on treatment with hot acetic anhydride and hydrolysis yields 3-halo-2-pyridones. Microwave spectrum of 3-fluoropyridine has been investigated in the frequency range of 8-18GHz at dry ice temperature. Deprotonation of 3-fluoropyridine with Bu3MgLi in THF at -10°C has been studied.

調製方法

製造方法A combination of CsF and HF provides a very reactive fluoride source and has shown faint promise with 3-chloropyridine giving 3-fluoropyridine in a very low yield.