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HCID 69571Erstellt: 27. Oktober 2026
3,4-Difluorphenylessigsure
Acid 3,4-difluoro · RARECHEM AL BO 0250 · 2-flurobenzyl alcohol · Sitagliptin Impurity 120 · 3,4-DIFLUOROPHENYLACETIC ACID · 3,4-Difluorobenzeneacetic acid · 3,4-DifluorophenylaceticAcid>3,4-Difluorophenylaceticacid98% · 3,4-Difluorophenylacetic acid 98%
https://huagongshe.com/de/chemical/69571
Identifikatoren & physikalische Daten
| CAS No. | 658-93-5 |
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| Summenformel | C8H6F2O2 |
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| Durchschnittliche Molmasse | 172,13 g/mol |
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| Monoisotopische Masse | 172,03358587 g/mol |
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| SMILES | O=C(O)Cc1ccc(F)c(F)c1 |
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| InChIKey | YCAKYFIYUHHCKW-UHFFFAOYSA-N |
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| PubChem CID | 69571 |
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| EC No. | 211-527-2 |
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| DTXSID | DTXSID50215985 |
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| Lokaler Name | 3,4-Difluorphenylessigsure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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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 | 46-50 °C (lit.) |
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| Siedepunkt | 219°C (rough estimate) |
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| Dichte | 1.3010 (estimate) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystaline |
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| pKa (Säurekonstante) | 4.06±0.10(Predicted) |
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| Farbe | White to Almost white |
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| BRN | 2577768 |
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| InChI | 1S/C8H6F2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12) |
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| InChIKey | YCAKYFIYUHHCKW-UHFFFAOYSA-N |
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| SMILES | OC(=O)Cc1ccc(F)c(F)c1 |
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| CAS Datenbank | 658-93-5(CAS DataBase Reference) |
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| NIST chemische Informationen | 3,4-Difluorophenylacetic acid(658-93-5) |
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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 | 29163990 |
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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 | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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