HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 24239Erstellt: 25. Oktober 2026
6-Nitroindazol
6-NITRO-1H-INDAZOLE · 6-Nitrobrazol · 6-NITROINDAZOLE · 6-Nitroindazoles · 6-Nitroisoindazole · 6-nitro-1h-indazol · 6-Nitroindazole>6-Nitroindazole 97% · 6-Nitroindazole,98%
https://huagongshe.com/de/chemical/24239
Identifikatoren & physikalische Daten
| CAS No. | 7597-18-4 |
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| Summenformel | C7H5N3O2 |
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| Durchschnittliche Molmasse | 163,13 g/mol |
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| Monoisotopische Masse | 163,0381764 g/mol |
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| SMILES | O=[N+]([O-])c1ccc2cn[nH]c2c1 |
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| InChIKey | ORZRMRUXSPNQQL-UHFFFAOYSA-N |
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| PubChem CID | 24239 |
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| ChEMBL | CHEMBL54277 |
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| EC No. | 231-500-9 |
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| DTXSID | DTXSID40884407 |
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| Lokaler Name | 6-Nitroindazol |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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| Polarare Oberfläche (TPSA) | 74,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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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 | 192 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| SpringerMaterials Properties | Chemical shift |
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| LogP (Verteilungskoeffizient) | 2.06 |
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| Löslichkeit | >24.5 [ug/mL] (The mean of the results at pH 7.4)very faint turbidity in hot Methanol |
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| Ionization Efficiency | Positive1.782.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
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| Schmelzpunkt | 180-182 °C (lit.) |
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| Siedepunkt | 290.19°C (rough estimate) |
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| Dichte | 1.4141 (rough estimate) |
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| Brechungsindex | 1.5500 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 11.08±0.40(Predicted) |
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| Aggregatzustand | Powder |
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| Farbe | Light Yellow |
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| BRN | 7812 |
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| InChI | InChI=1S/C7H5N3O2/c11-10(12)6-2-1-5-4-8-9-7(5)3-6/h1-4H,(H,8,9) |
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| InChIKey | ORZRMRUXSPNQQL-UHFFFAOYSA-N |
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| SMILES | N1C2=C(C=CC([N+]([O-])=O)=C2)C=N1 |
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| CAS Datenbank | 7597-18-4(CAS DataBase Reference) |
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| NIST chemische Informationen | 6-Nitroindazole(7597-18-4) |
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| EPA chemische Informationen | 1H-Indazole, 6-nitro- (7597-18-4) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: 1H-Indazole, 6-nitro- |
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| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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| Hazard Classes and Categories | Acute Tox. 4 (91.3%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29339900 |
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| RTECS-Nr. | NK7962100 |
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| R-Sätze (R) | 20/21/22-36/37/38-40-68-36 |
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| Gefahrensymbole | Xn,Xi |
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| Sicherheitshinweise (S) | 26-27-36/37/39 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 Oral |
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