4-Methoxypyridine (HCID 69278)

名称と識別子

優先名称: 4-Methoxypyridine
IUPAC: 4-methoxypyridine
現地名: 4-メトキシピリジン
英語名: 4-Methoxypyridine
分子式: C6H7NO
分子量: 109.13

名称と別名

4-Methoxypyridine620-08-6DTXSID10211029RefChem:99673DTXCID60133520210-624-7Pyridine, 4-methoxy-MFCD00674049.gamma.-Methoxypyridine4-methoxylpyridine4-methoxy-pyridineEINECS 210-624-7

名称をさらに表示

4-メトキシピリジンγ-メトキシピリジン4‐メトキシピリジン4-メトキシピリジン 95+%4-メトキシピリジン, 98+%4-Methoxypyridin4-methoxyridine4-methoxypridine4-Methoxypyridine>gamma-Methoxypyridine4-Methoxypyridine,99%4-METHOXYPYRIDINE, 98+%

4-Methoxypyridine 95+%4-Methoxypyridine, 97%AKOS002664334HY-W007634gamma-Methoxypyridine;EN300-84486AC-907/25004551methyl pyridin-4-yl ether

データベース識別子

CAS: 620-08-6
PubChem CID: 69278
DTXSID: DTXSID10211029
EC Number: 210-624-7
Nikkaji: J96.108F

物性

構造計算による物性

XLogP: 1
極性表面積: 22.1 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: 1
重原子数: 8
形式電荷: 0
複雑度: 59.5

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

LogP1.0

Ionization Efficiency · 6 件

Positive

3.24

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

物理化学的性質

融点: 4 °C · 4 °C
沸点: 108 · 108-111 °C/65 mmHg (lit.)
比重(密度): 1.075 g/mL · 1.075 g/mL at 25 °C (lit.)
屈折率: 1.518 · 1.518-1.522
闪点: 74 °C · 74 °C
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: DMSO（微量）、メタノール（微量）
外見: 液体
酸解離定数(Pka): 6.58 · 6.58(at 25℃)
比重: 1.075 · 1.075
色: 無色透明～微黄色透明
BRN: 108211 · 108211
InChI: InChI=1S/C6H7NO/c1-8-6-2-4-7-5-3-6/h2-5H,1H3
InChIKey: XQABVLBGNWBWIV-UHFFFAOYSA-N
SMILES: C1=NC=CC(OC)=C1
CAS データベース: 620 · 620-08-6(CAS DataBase Reference)
NISTの化学物質情報: 4 · Pyridine, 4-methoxy-(620-08-6)

化学的性質

化学的特性clear colorless to slightly yellow 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 62 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
hs_code: 29339900
risk_code: 36/37/38-20/21/22
消防法: 危-4-3-III
hazard_code: Xn,Xi
safety_code: 37/39-26-36-36/37/39
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4-Methoxypyridine, is used as a building block for the synthesis of some biologically active compounds. It is used for the preparation of a new series of benzoylated N-ylides as protein farnesyltransferase inhibitors.

一般的な説明4-Methoxypyridine has been prepared from 4-methoxypyridine-N-oxide, via catalytic hydrogenation. Ortho lithiation of 4-methoxypyridine using mesityllithium as the metalating base has been studied.