HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 32153Erstellt: 26. Oktober 2026
3-Biphenylylacetic acid
3-Biphenylacetic acid · Biphenyl-3-ylacetic acid · (3-Phenylphenyl)acetic acid · 1,1'-Biphenyl-3-acetic acid · 2-(3-phenylphenyl)acetic acid · [1,12-Biphenyl]-3-ylacetic acid · [1,1′-Biphenyl]-3-ylacetic acid · 2-([1,1'-biphenyl]-3-yl)acetic acid
https://huagongshe.com/de/chemical/32153
Identifikatoren & physikalische Daten
| CAS No. | 23948-77-8 |
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| Summenformel | C14H12O2 |
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| Durchschnittliche Molmasse | 212,24 g/mol |
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| Monoisotopische Masse | 212,08372962 g/mol |
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| SMILES | O=C(O)Cc1cccc(-c2ccccc2)c1 |
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| InChIKey | VLQLJPWPRYUYMK-UHFFFAOYSA-N |
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| PubChem CID | 32153 |
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| ChEMBL | CHEMBL142396 |
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| EC No. | 110-538-9 |
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| DTXSID | DTXSID00178652 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
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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 | 3 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 231 |
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| Schmelzpunkt | 135-137 °C |
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| Siedepunkt | 384.6±11.0 °C(Predicted) |
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| Dichte | 1.165±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 4.25±0.10(Predicted) |
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| InChI | 1S/C14H12O2/c15-14(16)10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10H2,(H,15,16) |
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| InChIKey | VLQLJPWPRYUYMK-UHFFFAOYSA-N |
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| SMILES | OC(CC1=CC(C2=CC=CC=C2)=CC=C1)=O |
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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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 Oral |
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