HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 736255Erstellt: 26. Oktober 2026
5-Phenylfuran-2-carboxylic acid
AKOS B025035 · AKOS BAR-0049 · ASISCHEM V38284 · IFLAB-BB F0850-6681 · ART-CHEM-BB B025035 · TIMTEC-BB SBB009726 · RARECHEM AL BE 0884 · 5-PHENYL-2-FUROIC ACID
https://huagongshe.com/de/chemical/736255
Identifikatoren & physikalische Daten
| CAS No. | 52938-97-3 |
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| Summenformel | C11H8O3 |
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| Durchschnittliche Molmasse | 188,18 g/mol |
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| Monoisotopische Masse | 188,04734412 g/mol |
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| SMILES | O=C(O)c1ccc(-c2ccccc2)o1 |
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| InChIKey | GUOMINFEASCICM-UHFFFAOYSA-N |
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| PubChem CID | 736255 |
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| ChEMBL | CHEMBL200666 |
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| EC No. | 626-814-1 |
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| DTXSID | DTXSID80352978 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
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| Polarare Oberfläche (TPSA) | 50,4 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 209 |
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| Schmelzpunkt | 150-154 °C (lit.) |
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| Siedepunkt | 368.2±30.0 °C(Predicted) |
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| Dichte | 1.254±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 3.15±0.10(Predicted) |
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| Farbe | White to Light yellow |
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| InChI | 1S/C11H8O3/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13) |
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| InChIKey | GUOMINFEASCICM-UHFFFAOYSA-N |
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| SMILES | OC(=O)c1ccc(o1)-c2ccccc2 |
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| CAS Datenbank | 52938-97-3(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (95.5%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2932190090 |
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| R-Sätze (R) | 22-36/37/38 |
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| Gefahrensymbole | Xn,Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36/37 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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