≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Canonical Smiles | C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)O |
|---|---|
| IUPAC Name | 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoic acid |
| InChIKey | OIVQVBDAMYDDEM-UHFFFAOYSA-N |
| INCHI | 1S/C9HF17O4/c10-2(1(27)28,5(14,15)16)29-9(25,26)4(13,7(20,21)22)30-8(23,24)3(11,12)6(17,18)19/h(H,27,28) |
| Isomeric SMILES | C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)O |
| PubChem CID | 93076 |
| Molecular Weight | 496.08 |
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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Alpha-halocarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alpha-halocarboxylic acids |
| Alternative Parents | Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom. |
| 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 |
|---|---|---|---|
 L2423157 | Certificate of Analysis | Nov 29, 2024 | T695101 |
| L2423158 | Certificate of Analysis | Nov 29, 2024 | T695101 |
| L2423159 | Certificate of Analysis | Nov 29, 2024 | T695101 |
| L2423160 | Certificate of Analysis | Nov 29, 2024 | T695101 |
| L2423161 | Certificate of Analysis | Nov 29, 2024 | T695101 |
| L2423162 | Certificate of Analysis | Nov 29, 2024 | T695101 |
| L2423306 | Certificate of Analysis | Nov 29, 2024 | T695101 |
| L2423307 | Certificate of Analysis | Nov 29, 2024 | T695101 |
| L2423323 | Certificate of Analysis | Nov 29, 2024 | T695101 |
| L2423324 | Certificate of Analysis | Nov 29, 2024 | T695101 |
| Molecular Weight | 496.070 g/mol |
|---|---|
| XLogP3 | 5.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 7 |
| Exact Mass | 495.96 Da |
| Monoisotopic Mass | 495.96 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 647.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Mingguo Peng, Yang Xu, Yao Wu, Xuewen Cai, Weihua Zhang, Lu Zheng, Erdeng Du, Jiajun Fu. (2024) Binding Affinity and Mechanism of Six PFAS with Human Serum Albumin: Insights from Multi-Spectroscopy, DFT and Molecular Dynamics Approaches. Toxics, 12 (1): (43). [PMID:38250999] [10.3390/toxics12010043] |
| 2. Anlin Xu, Zihao Song, Zhiyi Zhou, Pu Yang, Qiqi Zhang, Yunhai Zhang, Yongjun Zhang. (2024) The key role of hydrophobic forces during the electrocoagulation of perfluorooctanoic acid substitute (HFPO-TA) revealed by the interfacial thermodynamics. SEPARATION AND PURIFICATION TECHNOLOGY, [PMID:] [10.1016/j.seppur.2024.127127] |
| 3. Qinyu Wang, Zhonghao Chen, Xinrui Li, Kemeng Wang, Ke Wang, Yinjuan Chen, Zhugen Yang, Yanyan Zhang, Lei Wang. (2025) Scalable and Sustainable Cellulose Xerogels for High-Capacity Enrichment of Per- and polyfluoroalkyl Substances. WATER RESEARCH, [PMID:41455428] [10.1016/j.watres.2025.125258] |
