HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 688313Erstellt: 27. Oktober 2026
3-(4-Bromo-2-fluorophenyl)-2-propenoic acid
CAS:149947-19-3 · RARECHEM BK HW 0191 · 4-Bromo-2-fluorociamic acid · 4-BROMO-2-FLUOROCINNAMIC ACID · 4-Bromo-2-fluorocinnamicacid98% · 4-Bromo-2-fluorocinnamic acid 98% · 4-Bromo-2-fluorocinnamic acid,97% · 2-BROMO-2-FLUOROCINNAMIC ACID, 97%
https://huagongshe.com/de/chemical/688313
Identifikatoren & physikalische Daten
| CAS No. | 149947-19-3 |
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| Summenformel | C9H6BrFO2 |
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| Durchschnittliche Molmasse | 245,04 g/mol |
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| Monoisotopische Masse | 243,95351975 g/mol |
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| SMILES | O=C(O)C=Cc1ccc(Br)cc1F |
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| InChIKey | SVJGKQYKYNDYMU-UHFFFAOYSA-N |
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| PubChem CID | 688313 |
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| EC No. | 604-711-2 |
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| DTXSID | DTXSID401261087 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 218 |
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| Schmelzpunkt | 219-223 °C |
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| Siedepunkt | 337.5±27.0 °C(Predicted) |
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| Dichte | 1.6228 (rough estimate) |
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| Brechungsindex | 1.4240 (estimate) |
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| pKa (Säurekonstante) | 4.20±0.13(Predicted) |
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| Aggregatzustand | solid |
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| Farbe | Off white |
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| Löslichkeit | insoluble |
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| CAS Datenbank | 149947-19-3(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Zollcode | 29163990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 37/39-26-36 |
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| Gefahrenklasse | IRRITANT |
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