HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Nitrocarbazol
3-Nitro-9H-carbazole · INF 51 · Nsc 67708 · Ccris 6501 · Brn 0185812 · Einecs 221-367-5 · 3-nitrocarbazole · 9H-Carbazole, 3-nitro-
Identifikatoren & physikalische Daten
| CAS No. | 3077-85-8 |
|---|---|
| Summenformel | C12H8N2O2 |
| Durchschnittliche Molmasse | 212,2 g/mol |
| Monoisotopische Masse | 212,0585775 g/mol |
| SMILES | O=[N+]([O-])c1ccc2[nH]c3ccccc3c2c1 |
| InChIKey | ZYNHZTIMNJKVLK-UHFFFAOYSA-N |
| PubChem CID | 76503 |
| ChEMBL | CHEMBL164388 |
| EC No. | 221-367-5 |
| DTXSID | DTXSID90184787 |
| Lokaler Name | 3-Nitrocarbazol |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 61,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 289 |
| Schmelzpunkt | 216-217℃ |
| Siedepunkt | 449℃ |
| Dichte | 1.435 |
| Flammpunkt | 225℃ |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | DMSO (Slightly), Ethanol (Slightly, Heated), Methanol (Very Slightly, Heated) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 15.19±0.30(Predicted) |
| Farbe | Dark Red to Brown |
| InChI | InChI=1S/C12H8N2O2/c15-14(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-7,13H |
| InChIKey | ZYNHZTIMNJKVLK-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2)C2=C1C=CC([N+]([O-])=O)=C2 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
Anwendungen & Verwendung
Verwenden
3-Nitrocarbazole is a nitrated polycyclic aromatic hydrocarbon (PAH) with mutagenic activity.