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HCID 5418133Erstellt: 23. Oktober 2026
4-chloro-8-fluoro-5H-pyrimido[5,4-b]indole
TIMTEC-BB SBB011482 · 4-chloro-8-fluoro-5H-pyrimido[5,6-b]indole · 1-CHLORO-6-FLUORO-9H-2,4,9-TRIAZA-FLUORENE · 4-Chloro-8-fluoro-5H-pyrimido[5,4-b]indole · 5H-Pyrimido[5,4-b]indole, 4-chloro-8-fluoro-
https://huagongshe.com/de/chemical/5418133
Identifikatoren & physikalische Daten
| CAS No. | 331443-96-0 |
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| Summenformel | C10H5ClFN3 |
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| Durchschnittliche Molmasse | 221,62 g/mol |
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| Monoisotopische Masse | 221,01560306 g/mol |
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| SMILES | Fc1ccc2[nH]c3c(Cl)ncnc3c2c1 |
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| InChIKey | JJDNZPROOPECEV-UHFFFAOYSA-N |
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| PubChem CID | 5418133 |
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| ChEMBL | CHEMBL1444165 |
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| EC No. | 873-152-6 |
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| DTXSID | DTXSID201326786 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
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| Polarare Oberfläche (TPSA) | 41,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 253 |
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| Löslichkeit | 7.9 [ug/mL] (The mean of the results at pH 7.4) |
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| Siedepunkt | 419.7±40.0 °C(Predicted) |
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| Dichte | 1.599±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 11.48±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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANT |
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![Molekülstruktur von 4-chloro-8-fluoro-5H-pyrimido[5,4-b]indole](/img/chemical/5418133.png)