≥98%(T) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
4,4′-(Hexafluoroisopropylidene)bis(benzoic acid) is an aromatic dicarboxylic acid. It is a versatile ligand.
| Pubchem Sid | 488190827 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488190827 |
| Canonical Smiles | C1=CC(=CC=C1C(=O)O)C(C2=CC=C(C=C2)C(=O)O)(C(F)(F)F)C(F)(F)F |
| IUPAC Name | 4-[2-(4-carboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid |
| InChIKey | PHQYMDAUTAXXFZ-UHFFFAOYSA-N |
| 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) |
| Isomeric SMILES | C1=CC(=CC=C1C(=O)O)C(C2=CC=C(C=C2)C(=O)O)(C(F)(F)F)C(F)(F)F |
| WGK Germany | 3 |
| Molecular Weight | 392.25 |
| Reaxy-Rn | 2022417 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2022417&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Sesquiterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sesquiterpenoids |
| Alternative Parents | Diphenylmethanes Benzoic acids Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Sesquiterpenoid - Bisabolane sesquiterpenoid - Diphenylmethane - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Alkyl halide - Hydrocarbon derivative - Organofluoride - Organooxygen compound - Organic oxygen compound - Organic oxide - Organohalogen compound - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J1830084 | Certificate of Analysis | Jun 11, 2026 | B152964 |
| J1830083 | Certificate of Analysis | Jun 11, 2026 | B152964 |
| I2107105 | Certificate of Analysis | Jun 09, 2025 | B152964 |
| I2107106 | Certificate of Analysis | Jun 09, 2025 | B152964 |
| D2615019 | Certificate of Analysis | May 10, 2025 | B152964 |
| G2531211 | Certificate of Analysis | May 10, 2025 | B152964 |
| G2531214 | Certificate of Analysis | May 10, 2025 | B152964 |
| E2423188 | Certificate of Analysis | May 09, 2024 | B152964 |
| E2516239 | Certificate of Analysis | Apr 29, 2024 | B152964 |
| E2522608 | Certificate of Analysis | Apr 29, 2024 | B152964 |
| L2216526 | Certificate of Analysis | Nov 24, 2022 | B152964 |
| L2216586 | Certificate of Analysis | Nov 24, 2022 | B152964 |
| L2216590 | Certificate of Analysis | Nov 24, 2022 | B152964 |
| L2216591 | Certificate of Analysis | Nov 24, 2022 | B152964 |
| L2216592 | Certificate of Analysis | Nov 24, 2022 | B152964 |
| L2216598 | Certificate of Analysis | Nov 24, 2022 | B152964 |
| Melt Point(°C) | 272-274°C |
|---|---|
| Molecular Weight | 392.250 g/mol |
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 4 |
| Exact Mass | 392.048 Da |
| Monoisotopic Mass | 392.048 Da |
| Topological Polar Surface Area | 74.600 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 505.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Dandan Li, Chengyang Wang, Shengqi Ma, Hongwei Zhou, Ran Lu. (2021) Preparation and characterization of soluble heat-resistant polyimide films containing bis-N-phenyl-benzimidazole. HIGH PERFORMANCE POLYMERS, [PMID:] [10.1177/09540083211036326] |
| 2. Yuyang Han, Yao Xu, Kai Huang, Fei Xu, Jiayuan Ji, Bencai Lin. (2024) Poly(phenylene oxide) cross-linked with polybenzimidazole for the applications of high-temperature proton-exchange membrane fuel cells. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, [PMID:] [10.1016/j.ijhydene.2024.04.027] |
| 3. Ying Zhou, Xiao-Tong Song, Hui-Chao Guan, Shu-Mei Yue. (2024) Zn(II), Cd(II), Mn(II), and Cu(II) complexes based on an imidazole derivative and carboxylic acids: synthesis, crystal structures, and DNA-binding properties. JOURNAL OF COORDINATION CHEMISTRY, [PMID:] [10.1080/00958972.2024.2311715] |
