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HCID 1472385Erstellt: 26. Oktober 2026
6-Chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
6-Chloro-3-(difluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine · 1,2,4-Triazolo[4,3-b]pyridazine, 6-chloro-3-(difluoromethyl)-
https://huagongshe.com/de/chemical/1472385
Identifikatoren & physikalische Daten
| CAS No. | 477889-88-6 |
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| Summenformel | C6H3ClF2N4 |
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| Durchschnittliche Molmasse | 204,56 g/mol |
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| Monoisotopische Masse | 204,00143022 g/mol |
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| SMILES | FC(F)c1nnc2ccc(Cl)nn12 |
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| InChIKey | ROMPZOMVJLWOLW-UHFFFAOYSA-N |
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| PubChem CID | 1472385 |
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| ChEMBL | CHEMBL1612739 |
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| EC No. | 867-833-7 |
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| DTXSID | DTXSID801326710 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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| Polarare Oberfläche (TPSA) | 43,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 193 |
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| Löslichkeit | 22.5 [ug/mL] (The mean of the results at pH 7.4) |
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| Dichte | 1.82±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | -2.52±0.30(Predicted) |
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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, 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 2 reports by companies from 1 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 | 2933998090 |
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![Molekülstruktur von 6-Chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine](/img/chemical/1472385.png)