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Biphenyl-2,2'-dicarbonsure
[1,1'-BIPHENYL]-2,2'-DICARBOXYLIC ACID · O-PHENYL BENZOIC ACID · BIPHENYL-2,2'-DICARBOXYLIC ACID · Diphenic · BIPHENIC ACID · 2,2?Diphenit acid · 2,2'-Biphenyldicarboxylic Acid · 2-(2-Carboxyphenyl)benzoic acid
Identifikatoren & physikalische Daten
| CAS No. | 482-05-3 |
|---|---|
| Summenformel | C14H10O4 |
| Durchschnittliche Molmasse | 242,23 g/mol |
| Monoisotopische Masse | 242,0579088 g/mol |
| SMILES | O=C(O)c1ccccc1-c1ccccc1C(=O)O |
| InChIKey | GWZCCUDJHOGOSO-UHFFFAOYSA-N |
| PubChem CID | 10210 |
| ChEMBL | CHEMBL79411 |
| ChEBI | CHEBI:23837 |
| EC No. | 207-576-4 |
| DTXSID | DTXSID0060064 |
| Lokaler Name | Biphenyl-2,2'-dicarbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 294 |
| Stoffklassen | Other Classes -> Benzoic Acid Derivatives |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 2.07 |
| Dampfdruck | 0.00000001 [mmHg] |
| Physical Description | Solid[Merck Index] Beige powder[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 227-229 °C(lit.) |
| Siedepunkt | 345.05°C (rough estimate) |
| Dichte | 1.2695 (rough estimate) |
| Brechungsindex | 1.5389 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | almost transparency in Methanolinsoluble (20 ºC) |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | pKa 3.20(H2O t=23.0) (Uncertain)5.06(H2O t=23.0) (Uncertain) |
| Farbe | White to Orange to Green |
| pH | 4-5 (H2O, 20℃) |
| Merck | 14,3310 |
| BRN | 2053625 |
| InChI | 1S/C14H10O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8H,(H,15,16)(H,17,18) |
| InChIKey | GWZCCUDJHOGOSO-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccccc1-c2ccccc2C(O)=O |
| CAS Datenbank | 482-05-3(CAS DataBase Reference) |
| NIST chemische Informationen | 2,2'-Biphenyldicarboxylic acid(482-05-3) |
| EPA chemische Informationen | [1,1'-Biphenyl]-2,2'-dicarboxylic acid (482-05-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: [1,1'-Biphenyl]-2,2'-dicarboxylic acid[1,1'-Biphenyl]-2,2'-dicarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29173980 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-37 |
| Lagerklasse | 11 - Combustible Solids |
| Selbstentzündungstemperatur | 390 °C |
Anwendungen & Verwendung
Beschreibung
Die Diphenyl-2,2´-dicarbonsäure bildet ein weißes, wasserunlösliches Pulver. Die Verbindung besitzt nur wissenschaftliches Interesse.