HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 11680443Erstellt: 26. Oktober 2026
5-(3-bromophenyl)pentanoic Acid
Benzenepentanoic acid, 3-bromo- · 5-(3-bromophenyl)pentanoic acid
https://huagongshe.com/de/chemical/11680443
Identifikatoren & physikalische Daten
| CAS No. | 857480-35-4 |
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| Summenformel | C11H13BrO2 |
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| Durchschnittliche Molmasse | 257,12 g/mol |
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| Monoisotopische Masse | 256,00989 g/mol |
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| SMILES | O=C(O)CCCCc1cccc(Br)c1 |
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| InChIKey | NKXZWOVJAKICNE-UHFFFAOYSA-N |
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| PubChem CID | 11680443 |
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| EC No. | 878-736-4 |
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| DTXSID | DTXSID90470516 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 182 |
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| Siedepunkt | 86 °C(Press: 27 Torr) |
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| Dichte | 1.408±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 4.74±0.10(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 2 of 2 reports by companies.There are 0 notifications provided by 0 of 2 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Regulatorische Informationen | Status: Active Update: 04-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33356 |
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| Hazard Classes and Categories | Not Classified |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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