HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 75974Erstellt: 25. Oktober 2026
Furan-2-essigsure
2-Furanacetic acid · 2-FURYLACETIC ACID · furan-2-acetic acid · 2-Furanylacetic acid · 2-Furanacetic acid 97% · 2-(2-furyl)acetic acid · (Furan-2-yl)acetic acid · 2-furan-2-ylacetic acid
https://huagongshe.com/de/chemical/75974
Identifikatoren & physikalische Daten
| CAS No. | 2745-26-8 |
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| Summenformel | C6H6O3 |
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| Durchschnittliche Molmasse | 126,11 g/mol |
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| Monoisotopische Masse | 126,03169405 g/mol |
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| SMILES | O=C(O)Cc1ccco1 |
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| InChIKey | VYSRZETUSAOIMP-UHFFFAOYSA-N |
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| PubChem CID | 75974 |
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| ChEBI | CHEBI:178061 |
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| EC No. | 220-380-3 |
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| DTXSID | DTXSID60181864 |
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| Lokaler Name | Furan-2-essigsure |
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Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
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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 | 9 |
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| Formalladung | 0 |
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| Komplexität | 111 |
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| Schmelzpunkt | 64-69 °C |
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| Siedepunkt | 234℃ |
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| Dichte | 1.265 |
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| Brechungsindex | 1.5627 (estimate) |
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| Flammpunkt | 95℃ |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 4.16±0.10(Predicted) |
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| Farbe | Dark Beige to Very Dark Yellow |
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| InChI | 1S/C6H6O3/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8) |
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| InChIKey | VYSRZETUSAOIMP-UHFFFAOYSA-N |
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| SMILES | OC(=O)Cc1ccco1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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. |
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| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2932190090 |
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| R-Sätze (R) | 22-37/38-41 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-39 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
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