HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 19895Erstellt: 27. Oktober 2026
1-methyl-4-nitro-1H-pyrazole
-4-nitro-1H-pyrazoL · 1-METHYL-4-NITROPYRAZOLE · 1-Methyl-4-nitro-1H-pyrazole
https://huagongshe.com/de/chemical/19895
Identifikatoren & physikalische Daten
| CAS No. | 3994-50-1 |
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| Summenformel | C4H5N3O2 |
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| Durchschnittliche Molmasse | 127,1 g/mol |
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| Monoisotopische Masse | 127,0381764 g/mol |
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| SMILES | Cn1cc([N+](=O)[O-])cn1 |
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| InChIKey | CZVJIVYLYOVBRP-UHFFFAOYSA-N |
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| PubChem CID | 19895 |
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| EC No. | 870-931-2 |
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| DTXSID | DTXSID60192990 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
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| Polarare Oberfläche (TPSA) | 63,6 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 121 |
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| Schmelzpunkt | 91-92 °C |
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| Siedepunkt | 244℃ |
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| Dichte | 1.44 |
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| Flammpunkt | 102℃ |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | -2.07±0.10(Predicted) |
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| InChI | InChI=1S/C4H5N3O2/c1-6-3-4(2-5-6)7(8)9/h2-3H,1H3 |
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| InChIKey | CZVJIVYLYOVBRP-UHFFFAOYSA-N |
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| SMILES | N1(C)C=C([N+]([O-])=O)C=N1 |
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| CAS Datenbank | 3994-50-1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 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 (100%) |
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| Zollcode | 2933199090 |
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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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