2-Fluoro-4-methylpyridine (HCID 2737403)

名称と識別子

優先名称: 2-Fluoro-4-methylpyridine
IUPAC: 2-fluoro-4-methylpyridine
現地名: 2-フルオロ-4-ピコリン
英語名: 2-Fluoro-4-methylpyridine
分子式: C6H6FN
分子量: 111.12

名称と別名

2-Fluoro-4-methylpyridine461-87-0DTXSID90372041ZBFAXMKJADVOGH-UHFFFAOYSA-RefChem:87085DTXCID50323074625-585-5InChI=1/C6H6FN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3ZBFAXMKJADVOGH-UHFFFAOYSA-N2-Fluoro-4-picoline2-fluoro-4-methyl-pyridineMFCD00041224

名称をさらに表示

2-フルオロ-4-ピコリン2-フルオロ-4-メチルピリジン2-fluoro-4-methlpyridine4-methyl-2-fluoropyridine2-Fluoro-4-mehtylpyridine2-Fluoro-4-methylpyridine97%2-Fluoro-4-methylpyridine>Pyridine, 2-fluoro-4-methyl-2-FLUORO-4-METHYLPYRIDINE 98%2-Fluoro-4-methylpyridine,98%

2-fluoro-4-methyl pyridineSCHEMBL119822-Fluoro-4-methylpyridine, 98%AC-451AKOS005063631CS-W011273AB01854BP-21203

データベース識別子

CAS: 461-87-0
PubChem CID: 2737403
DTXSID: DTXSID90372041
EC Number: 625-585-5
Nikkaji: J594.817G

物性

構造計算による物性

XLogP: 1.3
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: 8
形式電荷: 0
複雑度: 74.9

実験および物理化学的性質

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

物理化学的性質

沸点: 160 · 160-161 °C (lit.)
比重(密度): 1.078 g/mL · 1.078 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.472(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: 液体
酸解離定数(Pka): 0.24 · 0.24±0.10(Predicted)
比重: 1.078 · 1.078
色: 無色～淡黄色
BRN: 107086 · 107086
InChI: 1S/C6H6FN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3
InChIKey: ZBFAXMKJADVOGH-UHFFFAOYSA-N
SMILES: Cc1ccnc(F)c1
CAS データベース: 461 · 461-87-0(CAS DataBase Reference)

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 (16%): 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 8 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. 3 (16%)

安全データ

wgk: 3
ridadr: 1993
hs_code: 29333990
risk_code: 36/37/38
消防法: 危-4-2-III
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
hazard_class: 3
packing_group: III
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用2-Fluoro-4-methylpyridine may be used in the preparation of:2-Fluoro-4-(iodomethyl)pyridine4-(4-fluorophenyl)-5-(2-fluoropyridin-4-yl)-1,3-dihydroimidazol-2-thione2-fluoro-4-pyridinemethanol2-fluoro-4-pyridinemethanol, 4-methylbenzenesulfonate10,10-bis[(2-fluoro-4-pyridinyl)methyl]-9(10H)-anthracenone2-fluoro-3-iodo-5-methylpyridine2-fluoro-4-pyridinecarboxylic acid

一般的な説明2-Fluoro-4-methylpyridine, also known as 2-fluoro-4-picoline, can be prepared based on Talik′s procedure from 2-amino-5-methylpyridine via diazotization. The effect of substituents on spectral properties of 2-fluoro-6-methylpyridine has been investigated based on 13C NMR, UV and IR spectral data.