3-Hexylthiophene
Grundinformationen
- CAS
1693-86-3- Standard-SMILES
CCCCCCc1ccsc1- InChIKey
JEDHEMYZURJGRQ-UHFFFAOYSA-N- Summenformel
- C10H16S
- Durchschnittliche Molmasse
- 168,3 g/mol
- Monoisotopische Masse
- 168,09727151
Namen und Bezeichner
- Bevorzugter Name
- 3-Hexylthiophene
- IUPAC
- 3-hexylthiophene
- Englischer Name
- 3-Hexylthiophene
- Summenformel
- C10H16S
- Molmasse
- 168.3
Namen und Synonyme
3-Hexylthiophene1693-86-3DTXSID20340733RefChem:94038DTXCID40291814629-237-3JEDHEMYZURJGRQ-UHFFFAOYSA-N3-n-HexylthiopheneThiophene, 3-hexyl-MFCD001431813-hexylthiophen3-hexyl-thiophene
Weitere Namen anzeigen
3-HexylthiopeneS10313-HexyL4-Hexylthiophene5-HexylthiopheneHEXYLTHIOPHENE(3-)3-Hexylthiophene>
GEO-01495AKOS005257744CS-W004388AC-4501SB66471AS-19031H0756EN300-95564
Datenbank-Bezeichner
- CAS
1693-86-3- PubChem CID
- 566849
- DTXSID
DTXSID20340733- EC Number
- 629-237-3
- Nikkaji
- J256.577C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5
- Polarare Oberfläche (TPSA)
- 28,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 90,9
Physikochemische Eigenschaften
- Schmelzpunkt
- -39.15 °C · -39.15°C (estimate)
- Siedepunkt
- 65 °C/0.45 · 65 °C/0.45 mmHg (lit.)
- Dichte
- 0.936 g/mL · 0.936 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.496(lit.)
- Flammpunkt
- 100 °F · 100 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to slightly yellow or red
- Wasserlöslichkeit
- Partly soluble in water.
- BRN
- 1617129 · 1617129
- InChI
- InChI=1S/C10H16S/c1-2-3-4-5-6-10-7-8-11-9-10/h7-9H,2-6H2,1H3
- InChIKey
- JEDHEMYZURJGRQ-UHFFFAOYSA-N
- SMILES
- C1SC=CC=1CCCCCC
- CAS Datenbank
- 1693 · 1693-86-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29349990
- risk_code
- 10-20/21/22-36/37/38-20
- hazard_code
- Xn,Xi
- safety_code
- 16-26-36-37/39
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Beschreibung3-Hexylthiophene is the intermediate for the synthesis of poly(3-hexylthiophene), referred as P3HT. To date, it is the most studied polymer for polymer solar cells. The efficiency of a P3HT/PCBM solar cell is typically 4-5 %, but with new fullerene materials developed to closely match the energy levels of P3HT (HOMO 5.0 eV, LUMO 3.0 eV), device performances have been pushed to 6.5%.
Verwenden3-n-Hexylthiophene is a conducting polymer precursor. may be used in the synthesis of poly(3-hexylthiophene). MgKR X-ray and low energy electron induced oligomerization of physisorbed layers of 3-hexylthiophene condensed on clean gold results in the formation of an organic film.
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