HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 16217813Erstellt: 4. November 2026
5-(4-Fluorophenyl)isoxazole-3-carboxaldehyde
5-(4-FLUOROPHENYL)ISOXAZOLE-3-CARBOXAL& · 3-Isoxazolecarboxaldehyde, 5-(4-fluorophenyl)- · 5-(4-Fluorophenyl)isoxazole-3-carboxaldehyde 97%
https://huagongshe.com/de/chemical/16217813
Identifikatoren & physikalische Daten
| CAS No. | 640292-06-4 |
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| Summenformel | C10H6FNO2 |
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| Durchschnittliche Molmasse | 191,16 g/mol |
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| Monoisotopische Masse | 191,03825665 g/mol |
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| SMILES | O=Cc1cc(-c2ccc(F)cc2)on1 |
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| InChIKey | ZCVSOFHLCCVOJD-UHFFFAOYSA-N |
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| PubChem CID | 16217813 |
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| EC No. | 624-147-0 |
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| DTXSID | DTXSID40584571 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
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| Polarare Oberfläche (TPSA) | 43,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 204 |
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| Schmelzpunkt | 91-95 °C (lit.) |
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| Aggregatzustand | solid |
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| InChI | 1S/C10H6FNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)12-14-10/h1-6H |
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| InChIKey | ZCVSOFHLCCVOJD-UHFFFAOYSA-N |
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| SMILES | [H]C(=O)c1cc(on1)-c2ccc(F)cc2 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2934999090 |
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| R-Sätze (R) | 22 |
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| Gefahrensymbole | Xn |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 Oral |
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