HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 786267Erstellt: 4. November 2026
3-Methyl-1-(4-nitrophenyl)-1H-pyrazol-5-amine
5-methyl-2-(4-nitrophenyl)pyrazol-3-amine · 5-methyl-2-(4-nitrophenyl)-3-pyrazolamine · 5-AMINO-3-METHYL-1-(P-NITROPHENYL)PYRAZOLE · 3-METHYL-1-(4-NITROPHENYL)-1H-PYRAZOL-5-AMINE · 5-Methyl-2-(4-nitrophenyl)-2H-pyrazol-3-ylamine · 1H-Pyrazol-5-amine, 3-methyl-1-(4-nitrophenyl)- · JR-13905, 3-Methyl-1-(4-nitrophenyl)-1H-pyrazol-5-amine, 97%
https://huagongshe.com/de/chemical/786267
Identifikatoren & physikalische Daten
| CAS No. | 16459-47-5 |
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| Summenformel | C10H10N4O2 |
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| Durchschnittliche Molmasse | 218,21 g/mol |
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| Monoisotopische Masse | 218,08037557 g/mol |
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| SMILES | Cc1cc(N)n(-c2ccc([N+](=O)[O-])cc2)n1 |
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| InChIKey | TVXCGEBTCKIPNH-UHFFFAOYSA-N |
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| PubChem CID | 786267 |
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| ChEMBL | CHEMBL1385246 |
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| EC No. | 670-621-5 |
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| DTXSID | DTXSID60354894 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 89,7 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 260 |
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| Löslichkeit | 27.7 [ug/mL] (The mean of the results at pH 7.4) |
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| Siedepunkt | 421.6±35.0 °C(Predicted) |
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| Dichte | 1.42±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 2.95±0.10(Predicted) |
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| Aggregatzustand | solid |
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| InChI | 1S/C10H10N4O2/c1-7-6-10(11)13(12-7)8-2-4-9(5-3-8)14(15)16/h2-6H,11H2,1H3 |
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| InChIKey | TVXCGEBTCKIPNH-UHFFFAOYSA-N |
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| SMILES | Cc1cc(N)n(n1)-c2ccc(cc2)[N+]([O-])=O |
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| CAS Datenbank | 16459-47-5(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, P317, 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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| Wassergefährdungsklasse (WGK) | 3 |
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| R-Sätze (R) | 22 |
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| Gefahrensymbole | Xn |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 Oral |
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