HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 95185Erstellt: 26. Oktober 2026
3-Amino-4-cyano-5-cyanomethylpyrazole
5-AMINO-3-(CYANOMETHYL)-1H-PYRAZOLE-4-CARBONITRILE · EOS-61784 · TOSLAB 27207 · AKOS B020886 · AURORA 15184 · AKOS BBS-00000167 · CBI-BB ZERO/005041 · ART-CHEM-BB B020886
https://huagongshe.com/de/chemical/95185
Identifikatoren & physikalische Daten
| CAS No. | 54711-21-6 |
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| Summenformel | C6H5N5 |
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| Durchschnittliche Molmasse | 147,14 g/mol |
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| Monoisotopische Masse | 147,05449516 g/mol |
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| SMILES | N#CCc1[nH]nc(N)c1C#N |
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| InChIKey | GSXISOIYTHIBLC-UHFFFAOYSA-N |
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| PubChem CID | 95185 |
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| EC No. | 259-299-3 |
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| DTXSID | DTXSID50203180 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
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| Polarare Oberfläche (TPSA) | 102 |
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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 | 11 |
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| Formalladung | 0 |
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| Komplexität | 230 |
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| Schmelzpunkt | 198-200°C |
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| Siedepunkt | 520.9±50.0 °C(Predicted) |
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| Dichte | 1.43±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| pKa (Säurekonstante) | 10.30±0.50(Predicted) |
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| Aggregatzustand | solid |
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| Farbe | Off-white |
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| CAS Datenbank | 54711-21-6(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)Aggregated GHS information provided per 40 reports by companies from 3 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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| UN-Transportnummer | 3276 |
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| Zollcode | 2933199090 |
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| R-Sätze (R) | 23/24/25 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Gefahrenklasse | IRRITANT |
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