HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 613657Erstellt: 23. Oktober 2026
6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine
1,2,4-Triazolo[4,3-b]pyridazine, 6-chloro-3-(trifluoromethyl)-
https://huagongshe.com/de/chemical/613657
Identifikatoren & physikalische Daten
| CAS No. | 40971-95-7 |
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| Summenformel | C6H2ClF3N4 |
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| Durchschnittliche Molmasse | 222,55 g/mol |
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| Monoisotopische Masse | 221,9920084 g/mol |
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| SMILES | FC(F)(F)c1nnc2ccc(Cl)nn12 |
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| InChIKey | IJESFQCCOFNOQG-UHFFFAOYSA-N |
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| PubChem CID | 613657 |
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| ChEMBL | CHEMBL1484078 |
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| EC No. | 885-790-2 |
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| DTXSID | DTXSID10346628 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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| Polarare Oberfläche (TPSA) | 43,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 224 |
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| Löslichkeit | 20.1 [ug/mL] (The mean of the results at pH 7.4) |
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| Dichte | 1.84±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Store at room temperature |
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| pKa (Säurekonstante) | -3.32±0.30(Predicted) |
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| Aggregatzustand | solid |
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| Farbe | Grey |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, 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. 3 (100%) |
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| Zollcode | 2933998090 |
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