3-メトキシピリジン

3-Methoxypyridine

HCID 23719CAS 7295-76-3

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1cccnc1
InChIKey: UMJSCPRVCHMLSP-UHFFFAOYSA-N
分子式: C6H7NO
平均分子量: 109.13 g/mol
単同位体質量: 109.05276384

概要

3-methoxypyridine has been reported in Camellia sinensis with data available.

名称と識別子

優先名称: 3-Methoxypyridine
IUPAC: 3-methoxypyridine
現地名: 3-メトキシピリジン
英語名: 3-Methoxypyridine
分子式: C6H7NO
分子量: 109.13

名称と別名

3-METHOXYPYRIDINE7295-76-3Pyridine, 3-methoxy-beta-Methoxypyridine.beta.-MethoxypyridineUNII-XV2A2D8595XV2A2D8595EINECS 230-730-7DTXSID60223238RefChem:94664DTXCID60145729230-730-7

名称をさらに表示

3-メトキシピリジンβ-メトキシピリジン3-Methoxypyridine>3-Methoxypyridine 97%3-Methoxypyridine,97%

InChI=1/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1HUMJSCPRVCHMLSP-UHFFFAOYSA-NMFCD006730223-methoxy-pyridine3-methoxypiridiness--Methoxypyridine3-Methoxypyridine, 97%SCHEMBL162478

データベース識別子

CAS: 7295-76-3
PubChem CID: 23719
DTXSID: DTXSID60223238
UNII: XV2A2D8595
EC Number: 230-730-7
Nikkaji: J110.373C

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: 65.5

実験および物理化学的性質

SpringerMaterials PropertiesDiamagnetic susceptibility

物理化学的性質

融点: 203 °C · 203 °C
沸点: 65 °C/15 · 65 °C/15 mmHg (lit.)
比重(密度): 1.083 g/mL · 1.083 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.518(lit.)
闪点: 159 °F · 159 °F
貯蔵温度: Inert atmosphere,Room Temperature
外見: 液体
酸解離定数(Pka): 4.78 · 4.78(at 25℃)
色: 無色透明～微黄色透明
InChI: InChI=1S/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3
InChIKey: UMJSCPRVCHMLSP-UHFFFAOYSA-N
SMILES: C1=NC=CC=C1OC
LogP: 0.99 · 0.990
NISTの化学物質情報: 3 · Pyridine, 3-methoxy-(7295-76-3)

化学的性質

化学的特性Clear colorless to slightl yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (97.7%): 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 43 reports by companies from 6 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 (97.7%)

安全データ

wgk: 3
hs_code: 29333999
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36/37/39-36
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 · 2 件

使用3-Methoxypyridine was used in the study of structure-activity relationships of pyridines as Sir2 histone/protein deacetylase inhibitors.

一般的な説明3-Methoxypyridine is a substituted pyridine. Kinetics of the oxidation of 3-methoxypyridine mediated by sulphate radicals has been investigated by flash photolysis of peroxodisulphate, S2O82-. Ortho lithiation of 3-methoxypyridine has been studied using mesityllithium as the metalating base.