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4-Phenoxyphenylacetic acid
2-(4-PHENOXYPHENYL)ACETIC ACID · NSC 43857 · RARECHEM AL BO 1521 · 4-PHENOXYPHENYLACETIC · 4-PHENOXYPHENYLACETIC ACID · p-Phenoxyphenylacetic Acid · 4-Phenoxybenzeneacetic Acid · p-Phenyloxyphenylacetic Acid
Identifikatoren & physikalische Daten
| CAS No. | 6328-74-1 |
|---|---|
| Summenformel | C14H12O3 |
| Durchschnittliche Molmasse | 228,24 g/mol |
| Monoisotopische Masse | 228,07864424 g/mol |
| SMILES | O=C(O)Cc1ccc(Oc2ccccc2)cc1 |
| InChIKey | VARVNFDGRLLTCI-UHFFFAOYSA-N |
| PubChem CID | 239077 |
| EC No. | 626-215-5 |
| DTXSID | DTXSID80979361 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 238 |
| Schmelzpunkt | 72-79 °C |
| Siedepunkt | 382℃ |
| Dichte | 1.217 |
| Brechungsindex | 1.5800 (estimate) |
| Flammpunkt | 146℃ |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 4.34±0.10(Predicted) |
| InChI | 1S/C14H12O3/c15-14(16)10-11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16) |
| InChIKey | VARVNFDGRLLTCI-UHFFFAOYSA-N |
| SMILES | OC(=O)Cc1ccc(Oc2ccccc2)cc1 |
| CAS Datenbank | 6328-74-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, 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 | Acute Tox. 4 (88.6%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 3077 9/PG 3 |
| Zollcode | 29189900 |
| R-Sätze (R) | 22-50 |
| Gefahrensymbole | Xn,N,Xi |
| Sicherheitshinweise (S) | 60-61 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Sens. 1 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-PHENOXYPHENYLACETIC ACID is an arylaliphatic acid used in the preperation of protential inhibitors of collagen-induced aggregation of human thrombocytes. p-Phenyloxyphenylacetic Acid is a predicted metabolite of 6-Amino-4-(4-phenoxyphenylethylamino)quinazoline.