HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 351291Erstellt: 27. Oktober 2026
5-Nitroindole-2-carboxylic acid
5-NITRO-1H-INDOLE-2-CARBOXYLIC ACID · 2-Carboxy-5-nitro-1H-indole · 5-NITROINDOLE-2-CARBOXYLICAICD · 5-NITROINDOLE-2-CARBOXYLIC ACID · 5-Nitroindole-2-carboxylicacid,96% · 1H-INDOLE-2-CARBOXYLIC ACID, 5-NITRO-
https://huagongshe.com/de/chemical/351291
Identifikatoren & physikalische Daten
| CAS No. | 16730-20-4 |
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| Summenformel | C9H6N2O4 |
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| Durchschnittliche Molmasse | 206,15 g/mol |
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| Monoisotopische Masse | 206,03275667 g/mol |
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| SMILES | O=C(O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 |
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| InChIKey | LHFOJSCXLFKDIR-UHFFFAOYSA-N |
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| PubChem CID | 351291 |
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| ChEMBL | CHEMBL5414501 |
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| EC No. | 674-419-8 |
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| DTXSID | DTXSID00325861 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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| Polarare Oberfläche (TPSA) | 98,9 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 288 |
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| Schmelzpunkt | >300°C |
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| Siedepunkt | 520.8±30.0 °C(Predicted) |
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| Dichte | 1.632±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 4.09±0.30(Predicted) |
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| CAS Datenbank | 16730-20-4(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (42.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 7 reports by companies from 5 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 (42.9%) |
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| Zollcode | 2933998090 |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANT |
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