HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 141749Erstellt: 26. Oktober 2026
3-Phenoxyphenylacetic acid
AKOS BC-3046 · TIMTEC-BB SBB005898 · RARECHEM AL BO 0338 · 3-PHENOXYPHENYLACETIC · 3-Phenoxyphenylacetic acid · 2-(3-phenoxyphenyl)aceticaci · Benzeneacetic acid, 3-phenoxy- · 3-Phenoxyphenylacetic acid 98%
https://huagongshe.com/de/chemical/141749
Identifikatoren & physikalische Daten
| CAS No. | 32852-81-6 |
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| Summenformel | C14H12O3 |
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| Durchschnittliche Molmasse | 228,24 g/mol |
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| Monoisotopische Masse | 228,07864424 g/mol |
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| SMILES | O=C(O)Cc1cccc(Oc2ccccc2)c1 |
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| InChIKey | LEMRHTTWKDVQEI-UHFFFAOYSA-N |
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| PubChem CID | 141749 |
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| ChEMBL | CHEMBL107066 |
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| EC No. | 625-222-0 |
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| DTXSID | DTXSID60186511 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
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| Polarare Oberfläche (TPSA) | 46,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 246 |
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| Schmelzpunkt | 88-91 °C (lit.) |
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| Siedepunkt | 385.4±25.0 °C(Predicted) |
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| Dichte | 1.217±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 4.15±0.10(Predicted) |
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| BRN | 2730540 |
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| InChI | 1S/C14H12O3/c15-14(16)10-11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9H,10H2,(H,15,16) |
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| InChIKey | LEMRHTTWKDVQEI-UHFFFAOYSA-N |
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| SMILES | OC(=O)Cc1cccc(Oc2ccccc2)c1 |
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| CAS Datenbank | 32852-81-6(CAS DataBase Reference) |
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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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29189900 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36/37 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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