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HCID 608772Erstellt: 27. Oktober 2026
2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid
2,2-DIFLUORO-1,3-BENZODIOXOLE-5-CARBOXYLIC ACID · BUTTPARK 29\01-69 · RARECHEM AL BO 0906 · 2,2-Difluoro-1,3-benzodioxole-5-ca · 5-Carboxy-2,2-difluoro-1,3-benzodioxole · 2,2-Difluorobenzodioxole-5-carboxylic acid · 2,2-difuoro-[1,3]-benzodioxole-5-carboxy acid · 2,3-Difluoro-1,3-benzodioxole-5-carboxylic acid
https://huagongshe.com/de/chemical/608772
Identifikatoren & physikalische Daten
| CAS No. | 656-46-2 |
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| Summenformel | C8H4F2O4 |
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| Durchschnittliche Molmasse | 202,11 g/mol |
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| Monoisotopische Masse | 202,00776505 g/mol |
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| SMILES | O=C(O)c1ccc2c(c1)OC(F)(F)O2 |
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| InChIKey | VJLDRFCNFNQTTH-UHFFFAOYSA-N |
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| PubChem CID | 608772 |
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| EC No. | 613-828-8 |
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| DTXSID | DTXSID00346016 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
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| Polarare Oberfläche (TPSA) | 55,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 256 |
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| Schmelzpunkt | 178 |
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| Siedepunkt | 266.1±40.0 °C(Predicted) |
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| Dichte | 1.66±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 4.01±0.40(Predicted) |
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| Farbe | White to Off-White |
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| CAS Datenbank | 656-46-2(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 7 reports by companies from 4 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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| Zollcode | 2932990090 |
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| R-Sätze (R) | 36/37/38-22 |
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| Gefahrensymbole | Xi,Xn |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36 |
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