HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Nitrodibenzothiophene
NSC 16062 · 2-Nitrodibenzothiophene · 2-nitro-dibenzothiophen · 2-Nitrodibenzo[b]thiophene · Dibenzothiophene, 2-nitro- · 2-Nitrodibenzothiophene in isooctane · 2-Nitrodibenzothiophene @100 μg/mL in Toluene · 2-NITRODIBENZOTHIOPHENE (100UG/ML IN TOLUENE)
Identifikatoren & physikalische Daten
| CAS No. | 6639-36-7 |
|---|---|
| Summenformel | C12H7NO2S |
| Durchschnittliche Molmasse | 229,26 g/mol |
| Monoisotopische Masse | 229,01974964 g/mol |
| SMILES | O=[N+]([O-])c1ccc2sc3ccccc3c2c1 |
| InChIKey | GXLYVLHWXVRVKI-UHFFFAOYSA-N |
| PubChem CID | 95072 |
| EC No. | 622-552-7 |
| DTXSID | DTXSID00216609 |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 291 |
| Schmelzpunkt | 186℃ |
| Siedepunkt | 423℃ |
| Dichte | 1.441 |
| Flammpunkt | 209℃ |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Sparingly), DMSO (Slightly, Sonicated) |
| Aggregatzustand | Solid |
| Farbe | Pale Yellow to Light Yellow |
| Henry-Konstante | 1.2×102 mol/(m3Pa) at 25℃, Parnis et al. (2015) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Zollcode | 2934208090 |
Anwendungen & Verwendung
Verwenden
2-Nitrodibenzothiophene is a nitrated polycyclic aromatic hydrocarbon (PAH). 2-Nitrodibenzothiophene is removed from coal by hydrogenation in Tetralin.