HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Bromodibenzothiophene
2-broModibenzo[b,d]thiophene · DBT-Brc · 2-DCDT-A · NSC 172586 · 2-Bromdibenzothiophene · 2-Bromodibenzothiophene · Dibenzothiophene,2-bromo- · 2-Bromodibenzothiophene >2-Bromodibenzothiophene in isooctane
Identifikatoren & physikalische Daten
| CAS No. | 22439-61-8 |
|---|---|
| Summenformel | C12H7BrS |
| Durchschnittliche Molmasse | 263,15 g/mol |
| Monoisotopische Masse | 261,94518332 g/mol |
| SMILES | Brc1ccc2sc3ccccc3c2c1 |
| InChIKey | IJICRIUYZZESMW-UHFFFAOYSA-N |
| PubChem CID | 299508 |
| EC No. | 891-396-1 |
| DTXSID | DTXSID80305909 |
Chemische & physikalische Eigenschaften
| XLogP | 5,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 218 |
| Schmelzpunkt | 250-252℃ |
| Siedepunkt | 387℃ |
| Dichte | 1.611 |
| Flammpunkt | 188℃ |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Sparingly), Ethyl Acetate (Slightly)Slightly soluble in water. |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| InChI | InChI=1S/C12H7BrS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H |
| InChIKey | IJICRIUYZZESMW-UHFFFAOYSA-N |
| SMILES | C12=CC=C(Br)C=C1C1=CC=CC=C1S2 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 29309090 |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
Used as intermediate for organic light-emitting diode(OLED) materials and pharmaceutical.
Verwenden
2-BROMODIBENZOTHIOPHENE can be used as an intermediate to synthesize organic semiconductor molecules. It is mainly used to synthesize devices used in OLED, OFET and OPV. It can also be used as a raw material and pharmaceutical intermediate in drug discovery and industrial production synthesis. For example, new N-substituted dibenzothiophene derivatives are synthesized by conjugation with primary or secondary amines[1-2].