3,4-ジメトキシチオフェン

3,4-Dimethoxythiophene

HCID 3613501

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 51792-34-8
標準SMILES: COc1cscc1OC
InChIKey: ZUDCKLVMBAXBIF-UHFFFAOYSA-N
分子式: C6H8O2S
平均分子量: 144.19 g/mol
単同位体質量: 144.02450067

名称と識別子

優先名称: 3,4-Dimethoxythiophene
IUPAC: 3,4-dimethoxythiophene
現地名: 3,4-ジメトキシチオフェン
英語名: 3,4-Dimethoxythiophene
分子式: C6H8O2S
分子量: 144.19

名称と別名

3,4-Dimethoxythiophene51792-34-8DTXSID90394208RefChem:271146DTXCID40345068628-711-7Thiophene, 3,4-dimethoxy-MFCD010965463,4-Dimethoxy thiophene3,4-dimethoxy-thiophene3,4-Dimethoxythiophene, 97%4-diMethoxythiophene

名称をさらに表示

3,4-ジメトキシチオフェンDMOTJACS-51792-34-8AKOS BBS-00006359,4-diMethoxythiophene3,4-dimethoxytiophene3,4- twoMethoxythiopheneThiophene,3,4-dimethoxy-3,4-Dimethoxythiophene>3,4-DIMETHOXYTHIOPHENE 98%

SCHEMBL273191SCHEMBL3943586ZUDCKLVMBAXBIF-UHFFFAOYSA-NSBB042426AKOS000270772AC-4907CS-W008823AS-14512

データベース識別子

CAS: 51792-34-8
PubChem CID: 3613501
DTXSID: DTXSID90394208
EC Number: 628-711-7
Nikkaji: J1.442.971I

物性

構造計算による物性

XLogP: 1.5
極性表面積: 46.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 9
形式電荷: 0
複雑度: 77

物理化学的性質

沸点: 100 · 100-102 °C/10-11 mmHg
比重(密度): 1.209 g/mL · 1.209 g/mL at 25 °C
屈折率: 1.5409 · 1.5409
闪点: 224 · 224 ºF
貯蔵温度: -20 °C · -20°C
外見: powder to lump to clear liquid
色: White or Colorless to Yellow
水溶解度: 有機溶剤と混和します。水とわずかに混和する。
InChI: 1S/C6H8O2S/c1-7-5-3-9-4-6(5)8-2/h3-4H,1-2H3
InChIKey: ZUDCKLVMBAXBIF-UHFFFAOYSA-N
SMILES: COc1cscc1OC
CAS データベース: 51792 · 51792-34-8(CAS DataBase Reference)

化学的性質

化学的特性Colorless to yellow to orange liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 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 CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
hs_code: 29309090
risk_code: 36/37/38-22
消防法: 危-4-3-III
hazard_code: Xi,Xn
safety_code: 26-36/37/39-24/25
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

使用3,4-Dimethoxythiophene is used as an electronic materials intermediate. It is used as a starting material in the synthesis of porphyrin dyad which is used to study photoinduced energy transfer.

一般的な説明3,4-Dimethoxythiophene (DMOT) is a monomer and a precursor which can be synthesized by ring closure reaction of 2,3-dimethoxy-1,3-butadiene and sulfur dichloride in hexane medium. It is an oligothiphene that is majorly used in the development of electroactive materials for organic electronics based applications.