HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 68014Erstellt: 25. Oktober 2026
3-fluor-4-hydroxyphenylessigsure
2-(3-fluoro-4-hydroxyphenyl)acetic acid · 4-(Carboxymethyl)-2-fluorophenol · 3-Fluoro-4-HydroxyphenylaceticAci · 3-Fluoro-4-hydroxyphenylacetic acid · 3-Fluoro-4-hydroxybenzeneacetic acid · Benzeneacetic acid, 3-fluoro-4-hydroxy- · 3-Fluoro-4-hydroxyphenylacetic acid,98% · 4-(Carboxymethyl)-2-fluorophenol, (3-Fluoro-4-hydroxyphenyl)acetic acid
https://huagongshe.com/de/chemical/68014
Identifikatoren & physikalische Daten
| CAS No. | 458-09-3 |
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| Summenformel | C8H7FO3 |
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| Durchschnittliche Molmasse | 170,14 g/mol |
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| Monoisotopische Masse | 170,0379223 g/mol |
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| SMILES | O=C(O)Cc1ccc(O)c(F)c1 |
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| InChIKey | YRFBZAHYMOSSGX-UHFFFAOYSA-N |
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| PubChem CID | 68014 |
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| EC No. | 207-275-8 |
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| DTXSID | DTXSID30196622 |
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| Lokaler Name | 3-fluor-4-hydroxyphenylessigsure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
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| Polarare Oberfläche (TPSA) | 57,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 172 |
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| Schmelzpunkt | 132-134 °C (lit.) |
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| Siedepunkt | 320.3±27.0 °C(Predicted) |
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| Dichte | 1.423±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 4.30±0.10(Predicted) |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | White to beige |
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| InChI | 1S/C8H7FO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12) |
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| InChIKey | YRFBZAHYMOSSGX-UHFFFAOYSA-N |
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| SMILES | OC(=O)Cc1ccc(O)c(F)c1 |
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| CAS Datenbank | 458-09-3(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 47 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 | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29182900 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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