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HCID 313624Erstellt: 26. Oktober 2026
6-Chloro-[1,2,4]triazolo[4,3-b]pyridazine
AKOS BBS-00002547 · 6-Chloro[1,2,4]Triazolo[4,3-b] · 6-Chloro-S-triazolo[4,3-B]pyridazine · s-Triazolo[4,3-b]pyridazine, 6-chloro- · 6-chloro-[1,2,4]triazolo[3,4-f]pyridazine · 6-Chloro-[1,2,4]triazolo[4,3-b]pyridazine · 1,2,4-TRIAZOLO[4,3-B]PYRIDAZINE, 6-CHLORO- · 6--1,2,4- three[4,3-B]chlorinepyrazolopyridazine
https://huagongshe.com/de/chemical/313624
Identifikatoren & physikalische Daten
| CAS No. | 28593-24-0 |
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| Summenformel | C5H3ClN4 |
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| Durchschnittliche Molmasse | 154,56 g/mol |
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| Monoisotopische Masse | 154,00462378 g/mol |
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| SMILES | Clc1ccc2nncn2n1 |
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| InChIKey | OUNXXBYNOUBNPF-UHFFFAOYSA-N |
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| PubChem CID | 313624 |
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| ChEMBL | CHEMBL1602999 |
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| EC No. | 640-581-3 |
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| DTXSID | DTXSID60310571 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
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| Polarare Oberfläche (TPSA) | 43,1 |
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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 | 10 |
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| Formalladung | 0 |
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| Komplexität | 131 |
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| Schmelzpunkt | 203-204 °C |
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| Dichte | 1.71±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | -0.73±0.30(Predicted) |
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| InChI | InChI=1S/C5H3ClN4/c6-4-1-2-5-8-7-3-10(5)9-4/h1-3H |
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| InChIKey | OUNXXBYNOUBNPF-UHFFFAOYSA-N |
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| SMILES | C12=NN=CN1N=C(Cl)C=C2 |
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| CAS Datenbank | 28593-24-0(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 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 (75%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 2933998090 |
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| R-Sätze (R) | 43 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 36/37 |
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| Gefahrenklasse | IRRITANTSkin Sens. 1 |
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| Lagerklasse | 11 - Combustible Solids |
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![Molekülstruktur von 6-Chloro-[1,2,4]triazolo[4,3-b]pyridazine](/img/chemical/313624.png)