HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3086355Erstellt: 28. Oktober 2026
4-(4-Heptylphenyl)benzoic Acid
RARECHEM AL BO 0681 · p-Heptylbibenzoic acid · 4-HEPTYL-4'-CARBOXYBIPHENYL · 4-Carboxy-4''-heptylbiphenyl · 4-(4-Heptylphenyl)benzoic Acid · 4-(4-Heptylphenyl)benzoicAcid>4-(4'-n-Heptylphenyl)benzoic acid · 4-HEPTYL-4'-BIPHENYLCARBOXYLIC ACID · 4-Heptylbiphenyl-4'-carboxylic Acid
https://huagongshe.com/de/chemical/3086355
Identifikatoren & physikalische Daten
| CAS No. | 58573-94-7 |
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| Summenformel | C20H24O2 |
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| Durchschnittliche Molmasse | 296,4 g/mol |
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| Monoisotopische Masse | 296,17763001 g/mol |
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| SMILES | CCCCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1 |
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| InChIKey | XVROSBHWACAQRL-UHFFFAOYSA-N |
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| PubChem CID | 3086355 |
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| ChEMBL | CHEMBL371684 |
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| EC No. | 679-939-9 |
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| DTXSID | DTXSID60974132 |
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Chemische & physikalische Eigenschaften
| XLogP | 7,2 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 8 |
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| Schwere Atome | 22 |
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| Formalladung | 0 |
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| Komplexität | 310 |
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| Siedepunkt | 449.9±34.0 °C(Predicted) |
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| Dichte | 1.048±0.06 g/cm3(Predicted) |
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| Löslichkeit | almost transparency in hot EtOH |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 4.23±0.10(Predicted) |
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| Farbe | White to Almost white |
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| InChI | InChI=1S/C20H24O2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(21)22/h8-15H,2-7H2,1H3,(H,21,22) |
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| InChIKey | XVROSBHWACAQRL-UHFFFAOYSA-N |
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| SMILES | C1(C2=CC=C(CCCCCCC)C=C2)=CC=C(C(O)=O)C=C1 |
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| CAS Datenbank | 58573-94-7(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Zollcode | 2916.31.5000 |
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