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4'-Hydroxy-4-biphenylcarboxylic acid
4'-hydroxy-[1,1'-biphenyl]-4-carboxylic acid · 4'-hydroxybiphenyl-4-carboxylic acid · AKOS BAR-1038 · RARECHEM AL BO 0537 · 4'-Hydroxy-4-biphenyL · 4-(4-CARBOXYPHENYL)-PHENOL · 4'-Hydroxy-4-biphenylcarbox · 4-(4-HYDROXYPHENYL)BENZOIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 58574-03-1 |
|---|---|
| Summenformel | C13H10O3 |
| Durchschnittliche Molmasse | 214,22 g/mol |
| Monoisotopische Masse | 214,06299418 g/mol |
| SMILES | O=C(O)c1ccc(-c2ccc(O)cc2)cc1 |
| InChIKey | JTGCXYYDAVPSFD-UHFFFAOYSA-N |
| PubChem CID | 301556 |
| ChEMBL | CHEMBL90522 |
| EC No. | 628-295-7 |
| DTXSID | DTXSID60306717 |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 236 |
| Schmelzpunkt | 295 °C (dec.)(lit.) |
| Siedepunkt | 314.35°C (rough estimate) |
| Dichte | 1.1956 (rough estimate) |
| Brechungsindex | 1.5090 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | almost transparency in hot Methanol |
| pKa (Säurekonstante) | 4.29±0.10(Predicted) |
| Aggregatzustand | Liquid or Solid |
| Farbe | Clear colorless to yellow |
| Hauptanwendungen | diagnostic assay manufacturinghematologyhistology |
| InChI | 1S/C13H10O3/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8,14H,(H,15,16) |
| InChIKey | JTGCXYYDAVPSFD-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccc(cc1)-c2ccc(O)cc2 |
| CAS Datenbank | 58574-03-1(CAS DataBase Reference) |
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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29163990 |
| R-Sätze (R) | 36/37/38-37/38-36 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-37 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Intermediates of Liquid Crystals