HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 482249Erstellt: 3. November 2026
5-(4-Pyridyl)-1H-Tetrazole
DK7405 · Pyridyltetrazole · 5-(4-PYRIDYL)TETRAZOLE · 4-(5-Tetrazolyl)pyridine · 5-(4-Pyridyl)-1H-tetrazole · 4-(1H-Tetrazol-5-yl)pyridine · 5-(Pyridin-4-yl)-1H-tetrazole · Pyridine, 4-(2H-tetrazol-5-yl)-
https://huagongshe.com/de/chemical/482249
Identifikatoren & physikalische Daten
| CAS No. | 14389-12-9 |
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| Summenformel | C6H5N5 |
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| Durchschnittliche Molmasse | 147,14 g/mol |
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| Monoisotopische Masse | 147,05449518 g/mol |
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| SMILES | c1cc(-c2nn[nH]n2)ccn1 |
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| InChIKey | JMILUUVWLRKJFB-UHFFFAOYSA-N |
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| PubChem CID | 482249 |
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| EC No. | 670-806-0 |
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| DTXSID | DTXSID80333101 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
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| Polarare Oberfläche (TPSA) | 67,4 |
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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 | 11 |
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| Formalladung | 0 |
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| Komplexität | 122 |
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| Schmelzpunkt | 265 °C |
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| Siedepunkt | 390.3±44.0 °C(Predicted) |
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| Dichte | 1.388±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| pKa (Säurekonstante) | 6.92±0.10(Predicted) |
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| InChI | InChI=1S/C6H5N5/c1-3-7-4-2-5(1)6-8-10-11-9-6/h1-4H,(H,8,9,10,11) |
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| InChIKey | JMILUUVWLRKJFB-UHFFFAOYSA-N |
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| SMILES | C1=NC=CC(C2=NNN=N2)=C1 |
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| CAS Datenbank | 14389-12-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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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| Zollcode | 2933998090 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 22-36/37/39-36-26 |
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| Gefahrenklasse | IRRITANT-HARMFUL |
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