2-フルオロ-3-ピコリン

2-Fluoro-3-methylpyridine

HCID 242722

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 2369-18-8
標準SMILES: Cc1cccnc1F
InChIKey: PHGXUFPYCAWEHK-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-3-methylpyridine
IUPAC: 2-fluoro-3-methylpyridine
現地名: 2-フルオロ-3-ピコリン
英語名: 2-Fluoro-3-methylpyridine
分子式: C6H6FN
分子量: 111.12

名称と別名

2-Fluoro-3-methylpyridine2369-18-8DTXSID70287568RefChem:87058DTXCID10238716624-901-9PHGXUFPYCAWEHK-UHFFFAOYSA-N2-Fluoro-3-picolinePyridine, 2-fluoro-3-methyl-MFCD000412232-fluoro-3-methyl-pyridine2-Fluoro-3-Methyl Pyridine

名称をさらに表示

2-フルオロ-3-ピコリン2-フルオロ-3-メチルピリジン2-フルオロ-β-ピコリン2-Fluoro-3-picoline,98%2-fluoro-3-methypyridine2-Fluoro-3-methylpyridine>2-Fluoro-3-methylpyridine98%2-FLUORO-3-METHYLPYRIDINE 97%2-Fluoro-3-methyl pyridine ,97%2-Fluoro-3-methylpyridine ISO 9001：2015 REACH

NSC51591SCHEMBL77971SCHEMBL230263SCHEMBL751711orb3030005SCHEMBL3056526SCHEMBL309371832-Fluoro-3-methylpyridine, 97%

データベース識別子

CAS: 2369-18-8
PubChem CID: 242722
DTXSID: DTXSID70287568
EC Number: 624-901-9
Nikkaji: J149.518F

物性

構造計算による物性

XLogP: 1.7
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: 154 · 154-155 °C (lit.)
比重(密度): 1.098 g/mL · 1.098 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.476(lit.)
闪点: 119 °F · 119 °F
貯蔵温度: 2 · Inert atmosphere,2-8°C
酸解離定数(Pka): -0.14 · -0.14±0.10(Predicted)
外見: clear liquid
色: Colorless to Light orange to Yellow
比重: 1.098 · 1.098
BRN: 1877 · 1877
InChI: 1S/C6H6FN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3
InChIKey: PHGXUFPYCAWEHK-UHFFFAOYSA-N
SMILES: Cc1cccnc1F
CAS データベース: 2369 · 2369-18-8(CAS DataBase Reference)

化学的性質

化学的特性clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (88%): 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

Hazard Classes and CategoriesFlam. Liq. 3 (88%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29333990
risk_code: 10-36/37/38-20/21/22-1020/21/2236/37/38
消防法: 危-4-2-III
hazard_code: Xi,F,Xn
hazard_note: Irritant
safety_code: 26-36-36/37/39-16-16 26 36/37/39
hazard_class: IRRITANT, FLAMMABLE
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 · 3 件

用途有機合成原料。

使用2-Fluoro-3-methylpyridine may be used in the preparation of:2-phenyl-3-methylpyridine2-(4-chlorophenyl)-3-methylpyridine2-(4-fluorophenyl)-3-methylpyridine2-fluoronicotinic acid

一般的な説明2-Fluoro-3-methylpyridine, also known as 2-fluoro-3-picoline, can be prepared by reacting 2-amino-3-methylpyridine and 40% fluoroboric acid.2 The signs of the long range coupling constants of 2-fluoro-3-methylpyridine have been obtained by double and triple resonance techniques.