6-フルオロ-2-ピコリン

2-Fluoro-6-methylpyridine

HCID 96090CAS 407-22-7

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cccc(F)n1
InChIKey: UDMNVTJFUISBFD-UHFFFAOYSA-N
分子式: C6H6FN
平均分子量: 111.12 g/mol
単同位体質量: 111.04842741

名称と識別子

優先名称: 2-Fluoro-6-methylpyridine
IUPAC: 2-fluoro-6-methylpyridine
現地名: 6-フルオロ-2-ピコリン
英語名: 2-Fluoro-6-methylpyridine
分子式: C6H6FN
分子量: 111.12

名称と別名

2-Fluoro-6-methylpyridine407-22-7Pyridine, 2-fluoro-6-methyl-EINECS 206-980-8DTXSID50193673NSC 51590RefChem:87121DTXCID90116164206-980-8UDMNVTJFUISBFD-UHFFFAOYSA-N2-fluoro-6-picoline6-Fluoro-2-picoline

名称をさらに表示

6-フルオロ-2-ピコリン2-フルオロ-6-メチルピリジン2-フルオロ-6-メチルピリジン, 98%6-me6-methyl-2-fluoropyridine2-Fluoro-6-methylpyridine98%2-Fluoro-6-methylpyridine>2-FLUORO-6-METHYLPYRIDINE 98%2-Bromo-3-methyl-6-nitropyridine

2-fluoro-6-methyl-pyridineMFCD000412262-methyl-6-fluoro-pyridineAB01860PS-9256SY014114EN300-865496-fluoro-2-methylpyridine

データベース識別子

CAS: 407-22-7
PubChem CID: 96090
DTXSID: DTXSID50193673
EC Number: 206-980-8
Nikkaji: J213.666J

物性

構造計算による物性

XLogP: 1.2
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

物理化学的性質

沸点: 140 · 140-141 °C (lit.)
比重(密度): 1.077 g/mL · 1.077 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.47(lit.)
闪点: 152 °F · 152 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: clear liquid
酸解離定数(Pka): 0.29 · 0.29±0.10(Predicted)
色: Colorless to Light orange to Yellow
比重: 1.07 · 1.07
BRN: 107084 · 107084
InChI: 1S/C6H6FN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3
InChIKey: UDMNVTJFUISBFD-UHFFFAOYSA-N
SMILES: Cc1cccc(F)n1
CAS データベース: 407 · 407-22-7(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Fluoro-6-methylpyridine(407-22-7)

化学的性質

化学的特性liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

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,F
hazard_note: Flammable/Irritant
safety_code: 26-36
hazard_class: IRRITANT
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-6-methylpyridine may be used in the preparation of:2-fluoro-6-pyridinecarboxylic acid2,2′-[1-(6-methylpyridin-2-yl)ethane-1,1-diyl]dipyridine2-fluoropyridine-6-aldoxime2-fluoro-6-(dibromomethyl)pyridine

一般的な説明2-Fluoro-6-methylpyridine, also known as 2-fluoro-6-picoline, can be prepared via diazotization of 2-amino-6-methylpyridine in hydrogen fluoride containing 40% pyridine solution. The effect of substituents on spectral properties of 2-fluoro-6-methylpyridine has been investigated based on 13C NMR, UV and IR spectral data.