3,4-Dimethoxythiophene

HCID 3613501

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Grundinformationen

CAS: 51792-34-8
Standard-SMILES: COc1cscc1OC
InChIKey: ZUDCKLVMBAXBIF-UHFFFAOYSA-N
Summenformel: C6H8O2S
Durchschnittliche Molmasse: 144,19 g/mol
Monoisotopische Masse: 144,02450067

Namen und Bezeichner

Bevorzugter Name: 3,4-Dimethoxythiophene
IUPAC: 3,4-dimethoxythiophene
Englischer Name: 3,4-Dimethoxythiophene
Summenformel: C6H8O2S
Molmasse: 144.19

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 46,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 77

Physikochemische Eigenschaften

Siedepunkt: 100 · 100-102 °C/10-11 mmHg
Dichte: 1.209 g/mL · 1.209 g/mL at 25 °C
Brechungsindex: 1.5409 · 1.5409
Flammpunkt: 224 · 224 ºF
storage temp.: -20 °C · -20°C
Aggregatzustand: powder to lump to clear liquid
Farbe: White or Colorless to Yellow
Wasserlöslichkeit: Miscible with organic solvents. Slightly miscible with water.
InChI: 1S/C6H8O2S/c1-7-5-3-9-4-6(5)8-2/h3-4H,1-2H3
InChIKey: ZUDCKLVMBAXBIF-UHFFFAOYSA-N
SMILES: COc1cscc1OC
CAS Datenbank: 51792 · 51792-34-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29309090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-24/25
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Anwendungen

Verwenden3,4-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.