HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 588648Erstellt: 27. Oktober 2026
3,5-Difluoromandelic acid
2-(3,5-difluorophenyl)-2-hydroxyacetic acid · 3,5-DIFLUOROMANDELIC ACID · 3,5-Difluoromandelic acid 97% · 3,5-DIFLUOROMANDELIC ACID 98+% · S-(+)-3.5-DifluoroMandelic Acid · -hydroxy-3,5-difluorophenylacetic acid · 3,5-DIFLUORO-A-HYDROXYPHENYLACETIC ACID · à-hydroxy-3,5-difluorophenylacetic acid
https://huagongshe.com/de/chemical/588648
Identifikatoren & physikalische Daten
| CAS No. | 132741-31-2 |
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| Summenformel | C8H6F2O3 |
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| Durchschnittliche Molmasse | 188,13 g/mol |
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| Monoisotopische Masse | 188,02850049 g/mol |
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| SMILES | O=C(O)C(O)c1cc(F)cc(F)c1 |
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| InChIKey | PHMLPPFFMSRWBK-UHFFFAOYSA-N |
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| PubChem CID | 588648 |
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| EC No. | 670-875-7 |
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| DTXSID | DTXSID10343273 |
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Chemische & physikalische Eigenschaften
| XLogP | 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 | 5 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 188 |
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| Schmelzpunkt | 135-139 °C (lit.) |
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| Siedepunkt | 306.5±37.0 °C(Predicted) |
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| Dichte | 1.522±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | crystalline solid |
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| pKa (Säurekonstante) | 3.10±0.10(Predicted) |
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| Farbe | White |
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| InChI | 1S/C8H6F2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,11H,(H,12,13) |
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| InChIKey | PHMLPPFFMSRWBK-UHFFFAOYSA-N |
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| SMILES | OC(C(O)=O)c1cc(F)cc(F)c1 |
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| CAS Datenbank | 132741-31-2(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 6 reports by companies from 3 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 | 29181990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36-37/39 |
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| Gefahrenklasse | IRRITANT |
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| Lagerklasse | 11 - Combustible Solids |
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