HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2736313Erstellt: 26. Oktober 2026
3-Bromo-2-fluorobenzoic acid
BUTTPARK 14\01-30 · 3-Bromo-2-fluorobenzoic · 3-BROMO-2-FLUOROBENZOIC ACID · Benzoic acid, 3-bromo-2-fluoro- · 3-Bromo-2-fluorobenzoic acid,98% · 3-Bromo-2-fluorobenzoic Acid >3-Bromo-2-fluorobenzoic acid 97%+ · 3-Bromo-2-fluorobenzoic acid 97% · 2-fluoro-3-bromobenzoic acid,3-Bromo-2-fluoro-benzoic acid,3-Bromo-2-Fluorobenzoic acid
https://huagongshe.com/de/chemical/2736313
Identifikatoren & physikalische Daten
| CAS No. | 161957-56-8 |
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| Summenformel | C7H4BrFO2 |
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| Durchschnittliche Molmasse | 219,01 g/mol |
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| Monoisotopische Masse | 217,93786969 g/mol |
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| SMILES | O=C(O)c1cccc(Br)c1F |
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| InChIKey | UVKURTLVTLRSSM-UHFFFAOYSA-N |
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| PubChem CID | 2736313 |
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| EC No. | 630-302-3 |
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| DTXSID | DTXSID00371267 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
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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 | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 163 |
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| Schmelzpunkt | 168 °C |
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| Siedepunkt | 298.2±25.0 °C(Predicted) |
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| Dichte | 1.789±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 2.88±0.10(Predicted) |
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| Farbe | White to Light yellow |
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| InChI | InChI=1S/C7H4BrFO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11) |
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| InChIKey | UVKURTLVTLRSSM-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)C1=CC=CC(Br)=C1F |
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| CAS Datenbank | 161957-56-8(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 9 reports by companies from 5 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 | 2916399090 |
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| R-Sätze (R) | 36 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26 |
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| Gefahrenklasse | IRRITANT |
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