HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 78502Erstellt: 27. Oktober 2026
6-Nitro-1H-indol
6-NITRO-1H-INDOLE · SW-112 · SWF-112 · 6-NitroindoL · 6-NITROINDLE · 6-NITROINDOLE · 6-Nitroindole>6-Nitroindole,96% · 6-Nitroindole,97%
https://huagongshe.com/de/chemical/78502
Identifikatoren & physikalische Daten
| CAS No. | 4769-96-4 |
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| Summenformel | C8H6N2O2 |
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| Durchschnittliche Molmasse | 162,15 g/mol |
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| Monoisotopische Masse | 162,04292743 g/mol |
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| SMILES | O=[N+]([O-])c1ccc2cc[nH]c2c1 |
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| InChIKey | PSWCIARYGITEOY-UHFFFAOYSA-N |
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| PubChem CID | 78502 |
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| ChEMBL | CHEMBL325066 |
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| EC No. | 225-311-0 |
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| DTXSID | DTXSID00197242 |
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| Lokaler Name | 6-Nitro-1H-indol |
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Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
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| Polarare Oberfläche (TPSA) | 61,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 190 |
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| SpringerMaterials Properties | Chemical shift |
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| Schmelzpunkt | 137-143 °C |
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| Siedepunkt | 362.6±15.0 °C(Predicted) |
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| Dichte | 1.425±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 14.76±0.30(Predicted) |
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| Farbe | Light yellow to Brown |
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| BRN | 135977 |
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| CAS Datenbank | 4769-96-4(CAS DataBase Reference) |
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| NIST chemische Informationen | 6-Nitroindole(4769-96-4) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.7%): 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)Aggregated GHS information provided per 43 reports by companies from 4 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 (97.7%) |
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| Zollcode | 29339900 |
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| R-Sätze (R) | 68-36/37/38-22 |
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| Gefahrensymbole | Xn,Xi |
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| Sicherheitshinweise (S) | 45-36/37-26 |
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| Gefahrenklasse | IRRITANT, IRRITANT-HARMFUL |
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