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[2,2'-Bichinolin]-4,4'-dicarbonsure
BCA · BICINCHONINIC ACID · 2,2'-BIQUINOLINE-4,4'-DICARBOXYLIC ACID · 2,2'-Biquinolinyl-4,4'-dicarboxylic acid · Bicinchonin · AKOS AUF0361 · TIMTEC-BB SBB002943 · BCA REAGENT A, 250 ML
![Molekülstruktur von [2,2'-Bichinolin]-4,4'-dicarbonsure](/img/chemical/71068.png)
Identifikatoren & physikalische Daten
| CAS No. | 1245-13-2 |
|---|---|
| Summenformel | C20H12N2O4 |
| Durchschnittliche Molmasse | 344,3 g/mol |
| Monoisotopische Masse | 344,07970687 g/mol |
| SMILES | O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12 |
| InChIKey | AFYNADDZULBEJA-UHFFFAOYSA-N |
| PubChem CID | 71068 |
| ChEMBL | CHEMBL431482 |
| EC No. | 214-990-9 |
| DTXSID | DTXSID8061638 |
| Lokaler Name | [2,2'-Bichinolin]-4,4'-dicarbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 100 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 506 |
| Physical Description | Beige powder[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 365°C(lit.) |
| Siedepunkt | 626.2±55.0 °C(Predicted) |
| Dichte | 1.468±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 1.77±0.10(Predicted) |
| Farbe | Light yellow to Yellow to Orange |
| BRN | 321561 |
| InChI | InChI=1S/C20H12N2O4/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18/h1-10H,(H,23,24)(H,25,26) |
| InChIKey | AFYNADDZULBEJA-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC=CC=2)C(C(O)=O)=CC=1C1C=C(C(O)=O)C2C(N=1)=CC=CC=2 |
| CAS Datenbank | 1245-13-2(CAS DataBase Reference) |
| EPA chemische Informationen | [2,2'-Biquinoline]-4,4'-dicarboxylic acid (1245-13-2) |
Sicherheit & Vorschriften
| Regulatorische Informationen | [2,2'-Biquinoline]-4,4'-dicarboxylic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
|---|---|
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] See 4-Quinolinecarboxylic acid. |
| F | 8-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29334900 |
| R-Sätze (R) | 36 |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,2′-Biquinoline-4,4′-dicarboxylic acid has been used in a study that synthesized and structurally characterized six metal-organic coordination polymers.