HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 96029Erstellt: 25. Oktober 2026
Quinoxaline, 6-nitro-
6-Nitroquinoxaline · TIMTEC-BB SBB009870 · 266-nitroquinoxaline · quinoxaline, 6-nitro-
https://huagongshe.com/de/chemical/96029
Identifikatoren & physikalische Daten
| CAS No. | 6639-87-8 |
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| Summenformel | C8H5N3O2 |
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| Durchschnittliche Molmasse | 175,14 g/mol |
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| Monoisotopische Masse | 175,0381764 g/mol |
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| SMILES | O=[N+]([O-])c1ccc2nccnc2c1 |
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| InChIKey | YLKFDRWBZAALPN-UHFFFAOYSA-N |
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| PubChem CID | 96029 |
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| ChEMBL | CHEMBL380630 |
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| EC No. | 623-149-9 |
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| DTXSID | DTXSID70216616 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 71,6 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 204 |
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| Schmelzpunkt | 169-171°C |
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| Siedepunkt | 341.7±22.0 °C(Predicted) |
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| Dichte | 1.437±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | -2.07±0.30(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Zollcode | 2933998090 |
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| R-Sätze (R) | 22-37/38-41 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-39 |
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| Gefahrenklasse | IRRITANT |
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