HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 616002Erstellt: 27. Oktober 2026
4-Biphenylcarboxylic acid, 4'-chloro-
4'-Chloro-[1,1'-biphenyl]-4-carboxylic acid · AKOS BAR-0007 · RARECHEM AL BE 1239 · 4-(4-Chlorophenyl)benzoic acid · 4-(4-Chlorophenyl)benzoic acid 95% · 4'-Chloro-4-biphenylcarboxylic acid · 4-BIPHENYL-4'-CHLORO-CARBOXYLIC ACID · 4'-CHLORO-BIPHENYL-4-CARBOXYLIC ACID
https://huagongshe.com/de/chemical/616002
Identifikatoren & physikalische Daten
| CAS No. | 5748-41-4 |
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| Summenformel | C13H9ClO2 |
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| Durchschnittliche Molmasse | 232,66 g/mol |
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| Monoisotopische Masse | 232,02910721 g/mol |
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| SMILES | O=C(O)c1ccc(-c2ccc(Cl)cc2)cc1 |
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| InChIKey | FIMRRWLTRBEAOM-UHFFFAOYSA-N |
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| PubChem CID | 616002 |
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| ChEMBL | CHEMBL105786 |
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| EC No. | 804-082-6 |
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| DTXSID | DTXSID10206096 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,5 |
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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 | 2 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 238 |
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| Schmelzpunkt | 293-296°C |
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| Siedepunkt | 398.5±25.0 °C(Predicted) |
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| Dichte | 1.298±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) | 4.08±0.10(Predicted) |
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| InChI | 1S/C13H9ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16) |
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| InChIKey | FIMRRWLTRBEAOM-UHFFFAOYSA-N |
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| CAS Datenbank | 5748-41-4(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 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 | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3077 9 / PGIII |
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| Zollcode | 2916399090 |
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| R-Sätze (R) | 22-36/37/38-51/53 |
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| Gefahrensymbole | Xi,N,Xn |
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| Sicherheitshinweise (S) | 26-61 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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