HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3136655Erstellt: 27. Oktober 2026
3-Amino-5-nitroindazole
5-NITRO-1H-INDAZOL-3-AMINE · 5-nitroindazol-3-aMine · 3-AMINO-5-NITROINDAZOLE · 3-Amino-5-nitro-1H-indazole · 5-Nitro-1H-indazol-3-ylaMine · 1H-indazol-3-amine, 5-nitro- · 1H-Indazole, 3-amino-5-nitro- · 1H-Benzimidazole,2-(4-methoxyethyl)-
https://huagongshe.com/de/chemical/3136655
Identifikatoren & physikalische Daten
| CAS No. | 41339-17-7 |
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| Summenformel | C7H6N4O2 |
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| Durchschnittliche Molmasse | 178,15 g/mol |
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| Monoisotopische Masse | 178,04907543 g/mol |
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| SMILES | Nc1n[nH]c2ccc([N+](=O)[O-])cc12 |
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| InChIKey | SWZRTDLKPZAFDT-UHFFFAOYSA-N |
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| PubChem CID | 3136655 |
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| EC No. | 112-427-0 |
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| DTXSID | DTXSID40389689 |
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Chemische & physikalische Eigenschaften
| XLogP | 1 |
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| Polarare Oberfläche (TPSA) | 101 |
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| H-Brücken-Donoren | 2 |
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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 | 217 |
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| Schmelzpunkt | 254-256°C |
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| Siedepunkt | 485.2±25.0 °C(Predicted) |
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| Dichte | 1.631±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| pKa (Säurekonstante) | 12.60±0.40(Predicted) |
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| InChI | InChI=1S/C7H6N4O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H3,8,9,10) |
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| InChIKey | SWZRTDLKPZAFDT-UHFFFAOYSA-N |
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| SMILES | N1C2=C(C=C([N+]([O-])=O)C=C2)C(N)=N1 |
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| CAS Datenbank | 41339-17-7(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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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) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | IRRITANT |
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