2,7-ジメトキシナフタレン

2,7-Dimethoxynaphthalene

HCID 77021CAS 3469-26-9

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1ccc2ccc(OC)cc2c1
InChIKey: PPKHAIRFQKFMLE-UHFFFAOYSA-N
分子式: C12H12O2
平均分子量: 188.22 g/mol
単同位体質量: 188.08372962

概要

structure given in first source

名称と識別子

優先名称: 2,7-Dimethoxynaphthalene
IUPAC: 2,7-dimethoxynaphthalene
現地名: 2,7-ジメトキシナフタレン
英語名: 2,7-Dimethoxynaphthalene
分子式: C12H12O2
分子量: 188.22

名称と別名

2,7-Dimethoxynaphthalene3469-26-9Naphthalene, 2,7-dimethoxy-DTXSID70188243RefChem:83425DTXCID00110734222-433-6MFCD00004064EINECS 222-433-6SCHEMBL443528SCHEMBL11361135SCHEMBL21830263

名称をさらに表示

2,7-ジメトキシナフタレン2，7ジメトキシナフタレン2,7-Dimethoxy2,7-Dimethoxyphthalene7-Dimethoxynaphthalene2,7-Dimethoxynaphthalin2,7-DimethoxylNaphthalene2,7-Dimethoxynaphthalene>2,7- twoMethoxy naphthalene2,7-Dimethoxynaphthalene,98%

SCHEMBL293670322,7-Dimethoxynaphthalene, 98%PPKHAIRFQKFMLE-UHFFFAOYSA-CS-M0858NSC28991NSC 28991NSC-28991AKOS000121467

データベース識別子

CAS: 3469-26-9
PubChem CID: 77021
DTXSID: DTXSID70188243
EC Number: 222-433-6
Nikkaji: J69.939J

物性

構造計算による物性

XLogP: 3.4
極性表面積: 18.5 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: 2
重原子数: 14
形式電荷: 0
複雑度: 163

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

物理化学的性質

融点: 137 · 137-139 °C (lit.)
沸点: 283.23 °C · 283.23°C (rough estimate)
比重(密度): 1.075 · 1.0750 (rough estimate)
屈折率: 1.601 · 1.6010 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
色: White to Orange to Green
InChI: InChI=1S/C12H12O2/c1-13-11-5-3-9-4-6-12(14-2)8-10(9)7-11/h3-8H,1-2H3
InChIKey: PPKHAIRFQKFMLE-UHFFFAOYSA-N
SMILES: C1=C2C(C=CC(OC)=C2)=CC=C1OC
CAS データベース: 3469 · 3469-26-9(CAS DataBase Reference)
NISTの化学物質情報: 2 · Naphthalene, 2,7-dimethoxy-(3469-26-9)

化学的性質

化学的特性off-white to brown crystalline powder

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 40 reports by companies from 3 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: 29093090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-24/25
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

UsesSynthetic Polymer MALDI Matrix Compounds

応用分野 · 2 件

用途有機合成原料。

使用2,7-Dimethoxynaphthalene was employed as matrix to investigate the structure of polymetallic porphyrins via matrix-assisted laser desorption/ionization. It was also used in the synthesis of:peri-aroylnaphthalene compounds via elective electrophilic aromatic aroylation2-amino-1,2,3,4-tetrahydronaphthalene-6,7-diol