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3,5-Bis(phenylmethoxy)benzoic acid
3,5-BIS(BENZYLOXY)BENZOIC ACID · RARECHEM AL BE 0734 · TerbutalineImpurity48 · 3,5-Dibenzyloxybenzoic acid · 3,5-DibenzyloxybenzoicAcid>3,5-DIBENZYLOXYBENZOIC ACID 98+% · 3,5-bis(phenylmethoxy)benzoic acid · Benzoic acid, 3,5-bis(phenylmethoxy)- · 3,5-BIS(BENZYLOXY)BENZENECARBOXYLIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 28917-43-3 |
|---|---|
| Summenformel | C21H18O4 |
| Durchschnittliche Molmasse | 334,4 g/mol |
| Monoisotopische Masse | 334,12050905 g/mol |
| SMILES | O=C(O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 |
| InChIKey | DHQIBPUGSWVDOH-UHFFFAOYSA-N |
| PubChem CID | 99307 |
| ChEMBL | CHEMBL1442749 |
| EC No. | 249-311-5 |
| DTXSID | DTXSID70183112 |
Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 369 |
| Schmelzpunkt | 214 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Dimethylformamide |
| Aggregatzustand | powder to crystal |
| Farbe | White to Orange to Green |
| InChI | InChI=1S/C21H18O4/c22-21(23)18-11-19(24-14-16-7-3-1-4-8-16)13-20(12-18)25-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,22,23) |
| InChIKey | DHQIBPUGSWVDOH-UHFFFAOYSA-N |
| SMILES | C1(OCC2=CC=CC=C2)C=C(C=C(OCC2C=CC=CC=2)C=1)C(=O)O |
| CAS Datenbank | 28917-43-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%) |
| Zollcode | 2918290090 |
Anwendungen & Verwendung
Verwenden
3,5-Dibenzyloxybenzoic Acid is a reagent used to synthesize (hydroxyphenyl)pyrrolidinylquinolinone as anticancer lead. It is also used to prepare Epi-gallocatechin gallate (EGCG) analogs for treating cancer.