Grundinformationen
- Standard-SMILES
CCCCCCCCCCCCc1ccsc1- InChIKey
RFKWIEFTBMACPZ-UHFFFAOYSA-N- Summenformel
- C16H28S
- Durchschnittliche Molmasse
- 252,5 g/mol
- Monoisotopische Masse
- 252,1911719
Überblick
See also: 3-(Dodec-1-yl)thiophene (annotation moved to).
Namen und Bezeichner
- Bevorzugter Name
- 3-Dodecylthiophene
- IUPAC
- 3-dodecylthiophene
- Englischer Name
- 3-DODECYLTHIOPHENE
- Summenformel
- C16H28S
- Molmasse
- 252.46
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
104934-52-3- PubChem CID
- 2733655
- DTXSID
DTXSID40369961- Nikkaji
- J256.499H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 8,2
- Polarare Oberfläche (TPSA)
- 28,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 11
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 156
Physikochemische Eigenschaften
- Schmelzpunkt
- -0.15 °C · -0.15°C (estimate)
- Siedepunkt
- 290 °C · 290 °C (lit.)
- Dichte
- 0.902 g/mL · 0.902 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.488(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow
- InChI
- InChI=1S/C16H28S/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16/h13-15H,2-12H2,1H3
- InChIKey
- RFKWIEFTBMACPZ-UHFFFAOYSA-N
- SMILES
- C1SC=CC=1CCCCCCCCCCCC
- CAS Datenbank
- 104934 · 104934-52-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29339900
- safety_code
- 24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
Verwenden3-Dodecylthiophene is a reactant used to make semiconducting copolymers.
Darstellung
synthetische3-Dodecylthiophene can be prepared from 3-bromothiophene and halogenated hydrocarbons in one step. Steps: Under N2 atmosphere, slowly add 1-bromododecane (28.75g, 26.9 mL) to a 250mL three-necked flask containing a mixture of magnesium chips (3.28g, 0.135mol), anhydrous THF (30mL) and a small amount of iodine. mL, 0.13 mol) in dry THF (45 mL). After the mixture was refluxed at 70 °C for 2 hours, the system was cooled to room temperature with ice water, Ni(dppp)Cl2 (0.54 g, 1.00 mmol) was added first, and then 3-bromothiophene (16.31 g, 0.10 mol) was added slowly. Anhydrous THF (40 mL) solution. The mixed solution was stirred at room temperature overnight, and cold aqueous HCl (1.50 mol/L) was added to quench the reaction. The crude product was extracted with dichloromethane, dried over anhydrous magnesium sulfate, and further purified by column separation purification (n-hexane as eluent), resulting in a clear liquid (22.18 g, yield=88%).
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…