HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 688255Erstellt: 26. Oktober 2026
4-Fluoro-2-(trifluoromethyl)benzoic acid
TIMTEC-BB SBB006651 · RARECHEM AL BO 0635 · à,à,à,4-tetrafluoro-o-toluic acid · α,α.α,4-Tetrafluoro-o-toluic Acid · 2-trifluoromethyl-4-fluoro-benzoic acid · 4-FLUORO-2-(TRIFLUOROMETHYL)BENZOIC ACID · Benzoicacid, 4-fluoro-2-(trifluoromethyl)- · 4-Fluoro-2-(trifluoromethyl)benzoicacid98%
https://huagongshe.com/de/chemical/688255
Identifikatoren & physikalische Daten
| CAS No. | 141179-72-8 |
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| Summenformel | C8H4F4O2 |
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| Durchschnittliche Molmasse | 208,11 g/mol |
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| Monoisotopische Masse | 208,01474225 g/mol |
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| SMILES | O=C(O)c1ccc(F)cc1C(F)(F)F |
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| InChIKey | JUHPDXOIGLHXTC-UHFFFAOYSA-N |
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| PubChem CID | 688255 |
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| EC No. | 626-641-1 |
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| DTXSID | DTXSID90350849 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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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 | 14 |
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| Formalladung | 0 |
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| Komplexität | 226 |
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| Schmelzpunkt | 121-124 °C (lit.) |
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| Siedepunkt | 239.0±40.0 °C(Predicted) |
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| Dichte | 1.4412 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| pKa (Säurekonstante) | 3.17±0.36(Predicted) |
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| Aggregatzustand | Needle-Like Crystalline Powder |
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| Farbe | Slightly yellow |
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| InChI | InChI=1S/C8H4F4O2/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H,13,14) |
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| InChIKey | JUHPDXOIGLHXTC-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)C1=CC=C(F)C=C1C(F)(F)F |
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| CAS Datenbank | 141179-72-8(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 49 reports by companies from 7 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 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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