3,4-Ethylenedioxythiophene (HCID 4421864)

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 3,4-Ethylenedioxythiophene
IUPAC: 2,3-dihydrothieno[3,4-b][1,4]dioxine
Englischer Name: 3,4-Ethylenedioxythiophene
Summenformel: C6H6O2S
Molmasse: 142.18

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 46,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 95,2

Physikochemische Eigenschaften

Schmelzpunkt: 10 °C · 10 °C
Siedepunkt: 193 °C · 193 °C (lit.)
Dichte: 1.331 g/mL · 1.331 g/mL at 25 °C (lit.)
Dampfdruck: 11.9 Pa · 11.9Pa at 25℃
Brechungsindex: 20 · n20/D 1.5765(lit.)
Flammpunkt: 230 °F · 230 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: clear liquid
Farbe: Colorless to Yellow
Wasserlöslichkeit: Immsicible with water. Miscible with alcohol and ether.
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 Datenbank: 126213 · 126213-50-1(CAS DataBase Reference)
EPA chemische Informationen: 3 · Thieno[3,4-b]-1,4-dioxin, 2,3-dihydro- (126213-50-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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]

Gefahrenhinweise

Regulatory Information · 3 Einträge

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 Einträge

Acute Tox. 4 (100%)

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 3
hs_code: 29349990
risk_code: 21/22-36
hazard_code: Xn,Xi
safety_code: 26-36
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralEye Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen · 1 Eintrag

Verwenden3,4-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.