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4'-Methyl[1,1'-biphenyl]-2-carbonsure
2-(4-METHYLPHENYL)BENZOIC ACID · AKOS BAR-0260 · RARECHEM AL BO 0764 · o-Tolylbenzoic acid · 4′-Methyl-2-biphenyl · 2-(P-TOLYL)BENZOIC ACID · Telmisartan Impurity 32 · 4'-Methyl-2-carboxybiphenyl
![Molekülstruktur von 4'-Methyl[1,1'-biphenyl]-2-carbonsure](/img/chemical/81568.png)
Identifikatoren & physikalische Daten
| CAS No. | 7148-03-0 |
|---|---|
| Summenformel | C14H12O2 |
| Durchschnittliche Molmasse | 212,24 g/mol |
| Monoisotopische Masse | 212,08372962 g/mol |
| SMILES | Cc1ccc(-c2ccccc2C(=O)O)cc1 |
| InChIKey | ZSTUEICKYWFYIC-UHFFFAOYSA-N |
| PubChem CID | 81568 |
| EC No. | 230-462-0 |
| DTXSID | DTXSID2064573 |
| Lokaler Name | 4'-Methyl[1,1'-biphenyl]-2-carbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 241 |
| Schmelzpunkt | 146-148°C |
| Siedepunkt | 354.5±11.0 °C(Predicted) |
| Dichte | 1.156±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO, Methanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.90±0.36(Predicted) |
| Farbe | White |
| InChI | InChI=1S/C14H12O2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16/h2-9H,1H3,(H,15,16) |
| InChIKey | ZSTUEICKYWFYIC-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=C(C)C=C2)=CC=CC=C1C(O)=O |
| CAS Datenbank | 7148-03-0(CAS DataBase Reference) |
| EPA chemische Informationen | [1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl- (7148-03-0) |
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 42 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-carboxylic acid, 4'-methyl- |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29163990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4’-Methylbiphenyl-2-carboxylic Acid is used in the synthesis of angiotensin II receptor antagonists used as potent orally active antihypertensives.