2-メトキシチオフェン

2-Methoxythiophene

HCID 85610

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 16839-97-7
標準SMILES: COc1cccs1
InChIKey: OKEHURCMYKPVFW-UHFFFAOYSA-N
分子式: C5H6OS
平均分子量: 114.17 g/mol
単同位体質量: 114.01393598

名称と識別子

優先名称: 2-Methoxythiophene
IUPAC: 2-methoxythiophene
現地名: 2-メトキシチオフェン
英語名: 2-Methoxythiophene
分子式: C5H6OS
分子量: 114.17

名称と別名

2-Methoxythiophene16839-97-7Thiophene, 2-methoxy-EINECS 240-863-2DTXSID60168559RefChem:87950DTXCID1091050240-863-2InChI=1/C5H6OS/c1-6-5-3-2-4-7-5/h2-4H,1HOKEHURCMYKPVFW-UHFFFAOYSA-N130410-20-72-methoxy-thiophene

名称をさらに表示

2-メトキシチオフェンMethoxythiophene2-Methoxythiophene>2-Methoxythiophene 97%2-Methoxythiophene,99%2-Methoxythiophene,97%METHYL 2-THIENYL ETHER2-Methoxythiophene ISO 9001：2015 REACH

MFCD000145262-methoxy thiophene2-Methoxythiophene #2-(methyloxy)thiophene2-Methoxythiophene, 97%SCHEMBL73652SCHEMBL247102SCHEMBL383629

データベース識別子

CAS: 16839-97-7
PubChem CID: 85610
DTXSID: DTXSID60168559
ChEBI: CHEBI:229346
EC Number: 240-863-2
Nikkaji: J151.062B

物性

構造計算による物性

XLogP: 1.9
極性表面積: 37.5 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: 1
重原子数: 7
形式電荷: 0
複雑度: 56

実験および物理化学的性質

Kovats Retention Index878

物理化学的性質

沸点: 151 · 151-152 °C/762 mmHg (lit.)
比重(密度): 1.133 g/mL · 1.133 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.528(lit.)
闪点: 110 °F · 110 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: Chloroform, Methanol (Slightly)
外見: clear liquid
色: Colorless to Light yellow to Light orange
BRN: 106271 · 106271
InChI: InChI=1S/C5H6OS/c1-6-5-3-2-4-7-5/h2-4H,1H3
InChIKey: OKEHURCMYKPVFW-UHFFFAOYSA-N
SMILES: C1(OC)SC=CC=1
LogP: 2.13 · 2.130
CAS データベース: 16839 · 16839-97-7(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Methoxythiophene(16839-97-7)

化学的性質

化学的特性CLEAR YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29349990
risk_code: 10
消防法: 危-4-2-III
safety_code: 16
hazard_class: 3
packing_group: III
Hazard Classifications: Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 2 件

使用2-Methoxythiophene was used in thermal reaction (60°C) of (C5Me5)Rh(PMe3)(Ph)H.

一般的な説明2-Methoxythiophene is a heterocyclic methyl enol ether and its reaction with o-quinone monoimide was studied. The intramolecular and intermolecular geometries of crystals of 2-methoxythiophene were investigated. Kinetics of the hydronium-ion catalysed hydrolysis of 2-methoxythiophene was reported.