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HCID 567533Erstellt: 23. Oktober 2026
2,3,5,6-Tetrafluorobenzoic Acid
RARECHEM AL BO 0266 · 4H-Tetrafluorobenzoic acid · 2,3,5,6-tetrafluorobenzoate · 2,3,5,6-TETRAFLUOROBENZOIC ACID · Benzoic acid,2,3,5,6-tetrafluoro- · 2,3,5,6-Tetrafluorobenzoic acid,98%
https://huagongshe.com/de/chemical/567533
Identifikatoren & physikalische Daten
| CAS No. | 652-18-6 |
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| Summenformel | C7H2F4O2 |
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| Durchschnittliche Molmasse | 194,08 g/mol |
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| Monoisotopische Masse | 193,99909218 g/mol |
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| SMILES | O=C(O)c1c(F)c(F)cc(F)c1F |
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| InChIKey | KVLBXIOFJUWSJQ-UHFFFAOYSA-N |
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| PubChem CID | 567533 |
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| ChEMBL | CHEMBL1207225 |
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| EC No. | 416-800-1 |
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| DTXSID | DTXSID20340798 |
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Chemische & physikalische Eigenschaften
| XLogP | 2 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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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 | 13 |
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| Formalladung | 0 |
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| Komplexität | 197 |
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| Schmelzpunkt | 150-152 °C(lit.) |
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| Siedepunkt | 227.9±35.0 °C(Predicted) |
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| Dichte | 1.5165 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 1.66±0.10(Predicted) |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | White to almost white |
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| InChI | InChI=1S/C7H2F4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13) |
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| InChIKey | KVLBXIOFJUWSJQ-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)C1=C(F)C(F)=CC(F)=C1F |
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| CAS Datenbank | 652-18-6(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315: Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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| Regulatorische Informationen | Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3650 |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%)Skin irritation - category 2 |
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| Wassergefährdungsklasse (WGK) | 1 |
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| Zollcode | 29163990 |
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| R-Sätze (R) | 38-41 |
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| Gefahrensymbole | Xi,C |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 22-26-37/39 |
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| Gefahrenklasse | IRRITANT, CORROSIVE |
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