HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 246039Erstellt: 26. Oktober 2026
5-nitro-1H-indole-3-carbaldehyde
RARECHEM AH BS 0125 · 5-NITROINDOLE-3-ALDEHYDE · 3-Formyl-5-nitro-1H-indole · 5-Nitroindole-3-carbaldehyde · 5-NITROINDOLE-3-CARBOXALDEHYDE · 5-Nitro-1H-indol-3-carbaldehyde · 5-NITRO-1H-INDOLE-3-CARBALDEHYDE · 5-Nitro-1H-indole-3-carboxaldehyde
https://huagongshe.com/de/chemical/246039
Identifikatoren & physikalische Daten
| CAS No. | 6625-96-3 |
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| Summenformel | C9H6N2O3 |
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| Durchschnittliche Molmasse | 190,16 g/mol |
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| Monoisotopische Masse | 190,03784205 g/mol |
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| SMILES | O=Cc1c[nH]c2ccc([N+](=O)[O-])cc12 |
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| InChIKey | PHKYMSLVWLYDKP-UHFFFAOYSA-N |
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| PubChem CID | 246039 |
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| EC No. | 975-474-3 |
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| DTXSID | DTXSID00289030 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 78,7 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 251 |
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| Schmelzpunkt | 300 °C |
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| Siedepunkt | 441.5±25.0 °C(Predicted) |
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| Dichte | 1.516±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 13.75±0.30(Predicted) |
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| Farbe | Brown |
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| CAS Datenbank | 6625-96-3(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) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36/37/39-24/25 |
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