CAS 126213-50-1 3,4-Ethylenedioxythiophene (HCID 4421864)

概要

structure in first source

名称と識別子

優先名称: 3,4-Ethylenedioxythiophene
IUPAC: 2,3-dihydrothieno[3,4-b][1,4]dioxine
現地名: 2,3-ジヒドロチエノ[3,4-B]-1,4-ジオキシン
英語名: 3,4-Ethylenedioxythiophene
分子式: C6H6O2S
分子量: 142.18

名称と別名

3,4-Ethylenedioxythiophene126213-50-1Thieno[3,4-b]-1,4-dioxin, 2,3-dihydro-Thieno(3,4-b)-1,4-dioxin, 2,3-dihydro-DTXSID40888925RefChem:486401DTXCID001028196603-128-02,3-dihydrothieno[3,4-b][1,4]dioxineEDOT2,3-Dihydrothieno[3,4-b]-1,4-dioxinMFCD02093622

名称をさらに表示

3,4-エチレンジオキシチオフェン2,3-ジヒドロチエノ[3,4-B]-1,4-ジオキシン２，３ジヒドロチエノ［３，４ｂ］［１，４］ジオキシン2,3-ジヒドロチエノ[3,4-b][1,4]ジオキシン3,4‐エチレンジオキシチオフェン2,3-ジヒドロチエノ[3,4-B][1,4]ジオキシンE3.4-エチレンジオキシチオフェン3,4-エチレンジオキシチオフェン, 97%2,3-ジヒドロ-チエノ[3,4-b]-1,4-ジオキシン3,4-(エチレンビスオキシ)チオフェン3,4-(エチレンジオキシ)チオフェン2,5-ジオキサ-8-チアビシクロ[4.3.0]ノナ-1(9),6-ジエン3,4-(エポキシエタノキシ)チオフェン5,6-ジヒドロ-4,7-ジオキサ-2-チア-2H-インデン3,4-エチレンビスオキシチオフェン2H,3H-チエノ[3,4-b][1,4]ジオキシンEDT3,4-ethoxylenedioxythiopheneBecavi3,4-EthyLPEDOT PowderAKOS BBS-00006360enedioxythiophene3,4-Ethylenedioxythi

2H,3H-thieno[3,4-b][1,4]dioxine3,4-Ethylenedioxythiopene8SEC7Q2K7G2H,3H-thiopheno[3,4-e]1,4-dioxane3,4-(ethylenedioxy)thiophene2,3-Dihydrothieno[3,4-b][1,4]dioxin3,4-ethylendioxythiophene3.4-ethylenedioxythiophene

データベース識別子

CAS: 126213-50-1
PubChem CID: 4421864
DTXSID: DTXSID40888925
UNII: 8SEC7Q2K7G
EC Number: 415-450-7、603-128-0
Nikkaji: J664.270E

物性

構造計算による物性

XLogP: 1.3
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: 0
重原子数: 9
形式電荷: 0
複雑度: 95.2

物理化学的性質

融点: 10 °C · 10 °C
沸点: 193 °C · 193 °C (lit.)
比重(密度): 1.331 g/mL · 1.331 g/mL at 25 °C (lit.)
蒸気圧: 11.9 Pa · 11.9Pa at 25℃
屈折率: 20 · n20/D 1.5765(lit.)
闪点: 230 °F · 230 °F
貯蔵温度: 2 · 2-8°C
外見: clear liquid
色: Colorless to Yellow
水溶解度: 水と不溶性。アルコールおよびエーテルと混和する。
InChI: InChI=1S/C6H6O2S/c1-2-8-6-4-9-3-5(6)7-1/h3-4H,1-2H2
InChIKey: GKWLILHTTGWKLQ-UHFFFAOYSA-N
SMILES: O1CCOC2=CSC=C12
LogP: 1.976 at · 1.976 at 25℃ and pH7.1
CAS データベース: 126213 · 126213-50-1(CAS DataBase Reference)
EPAの化学物質情報: 3 · Thieno[3,4-b]-1,4-dioxin, 2,3-dihydro- (126213-50-1)

化学的性質

化学的特性Light yellow liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

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

P262, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P316, P317, P321, P330, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

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

危険有害性情報

Regulatory Information · 3 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Cease Manufacture Update: 05-07-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1716

Thieno3,4-b-1,4-dioxin, 2,3-dihydro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 2 件

Acute Tox. 4 (100%)

安全データ

wgk: 2
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 3
hs_code: 29349990
risk_code: 21/22-36
化審法: (5)-6421
消防法: 危-4-3-III
hazard_code: Xn,Xi
safety_code: 26-36
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralEye Irrit. 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

General Manufacturing InformationThieno[3,4-b]-1,4-dioxin, 2,3-dihydro-: ACTIVE

応用分野 · 2 件

使用3,4-Ethylenedioxythiophene is used as a monomer to synthesize the conductive polymers and used as a reductant in the one-pot synthesis of gold nanoparticles from chloroauric acid, as starting material used in palladium-catalyzed mono and bis-arylation reactions and in the synthesis of conjugated polymers and copolymers, with potential optical applications. It is also used in redox activity, electroactivity and conductivity.

一般的な説明3,4-Ethylenedioxythiophene (EDOT) is an electro-active conductive monomer with a thiol group that combines an electron donor and electron acceptor in a donor-acceptor-donor arrangement.