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HCID 633763Erstellt: 3. November 2026
2,2-Bis(4-carboxyphenyl)hexafluoropropane
4,4'-(HEXAFLUOROISOPROPYLIDENE)BIS(BENZOIC ACID) · BIS-B-AF · 2,2-Bis(4-carboxyphenyl)hexafluoropropane · 4,4'-(Hexafluoroisopropylidene)dibenzoic acid · 2,2-Bis-(4-carboxyphenyl)hexafluoropropane98% · 2,2-Bis(4-carboxyphenyl)hexafluoropropane >2,2-Bis-(4-carboxyphenyl)hexafluoropropane 98% · 4,4'-(Perfluoropropane-2,2-diyl)dibenzoic acid · 2,2-Bis(4-carboxyphenyl)-1,1,1,3,3,3-hexafluoropropane
https://huagongshe.com/de/chemical/633763
Identifikatoren & physikalische Daten
| CAS No. | 1171-47-7 |
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| Summenformel | C17H10F6O4 |
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| Durchschnittliche Molmasse | 392,25 g/mol |
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| Monoisotopische Masse | 392,04832777 g/mol |
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| SMILES | O=C(O)c1ccc(C(c2ccc(C(=O)O)cc2)(C(F)(F)F)C(F)(F)F)cc1 |
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| InChIKey | PHQYMDAUTAXXFZ-UHFFFAOYSA-N |
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| PubChem CID | 633763 |
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| EC No. | 628-620-2 |
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| DTXSID | DTXSID1061576 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,9 |
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| Polarare Oberfläche (TPSA) | 74,6 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 10 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 27 |
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| Formalladung | 0 |
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| Komplexität | 505 |
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| Schmelzpunkt | 272-274 °C (lit.) |
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| Siedepunkt | 424.4±45.0 °C(Predicted) |
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| Dichte | 1.505±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 3.45±0.10(Predicted) |
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| Farbe | White to Almost white |
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| BRN | 2022417 |
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| InChI | InChI=1S/C17H10F6O4/c18-16(19,20)15(17(21,22)23,11-5-1-9(2-6-11)13(24)25)12-7-3-10(4-8-12)14(26)27/h1-8H,(H,24,25)(H,26,27) |
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| InChIKey | PHQYMDAUTAXXFZ-UHFFFAOYSA-N |
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| SMILES | C(C1=CC=C(C=C1)C(O)=O)(C1=CC=C(C=C1)C(O)=O)(C(F)(F)F)C(F)(F)F |
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| CAS Datenbank | 1171-47-7(CAS DataBase Reference) |
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| EPA chemische Informationen | Benzoic acid, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis- (1171-47-7) |
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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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29173990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-37/39 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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Anwendungen & Verwendung
Verwenden
4,4′-(Hexafluoroisopropylidene)bis(benzoic acid) is suitable for use as monomer in the synthesis of polyoxadiazole and polytriazole. It may be used:in the solvothermal synthesis of new coordination compounds with different transition metal ionsas bent ligand in the solvothermal synthesis of metal-organic coordination polymersin the synthesis of RPF-4, a family of polymeric frameworks
