| Pubchem Sid | 488184348 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184348 |
| Canonical Smiles | C1(=C(C(=C(C(=C1F)F)F)F)C(=O)O)C(=O)O |
| IUPAC Name | 3,4,5,6-tetrafluorophthalic acid |
| InChIKey | YJLVXRPNNDKMMO-UHFFFAOYSA-N |
| INCHI | 1S/C8H2F4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16) |
| Isomeric SMILES | C1(=C(C(=C(C(=C1F)F)F)F)C(=O)O)C(=O)O |
| PubChem CID | 69544 |
| Molecular Weight | 238.09 |
| Reaxy-Rn | 2057012 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Halobenzoic acids and derivatives |
| Direct Parent | Halobenzoic acids |
| Alternative Parents | 4-halobenzoic acids 3-halobenzoic acids 2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Fluorobenzenes Dicarboxylic acids and derivatives Aryl fluorides Vinylogous halides Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Halobenzoic acid - 4-halobenzoic acid - 3-halobenzoic acid - 2-halobenzoic acid - 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid - 1-carboxy-2-haloaromatic compound - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Dicarboxylic acid or derivatives - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring. |
| 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 |
|---|---|---|---|
 K2119100 | Certificate of Analysis | Sep 04, 2025 | T162559 |
| K2119646 | Certificate of Analysis | Sep 04, 2025 | T162559 |
| B2508175 | Certificate of Analysis | Dec 02, 2022 | T162559 |
| D2509103 | Certificate of Analysis | Dec 02, 2022 | T162559 |
| D2528029 | Certificate of Analysis | Dec 02, 2022 | T162559 |
| E2608064 | Certificate of Analysis | Dec 02, 2022 | T162559 |
| E2618179 | Certificate of Analysis | Dec 02, 2022 | T162559 |
| L2216410 | Certificate of Analysis | Dec 02, 2022 | T162559 |
| L2216411 | Certificate of Analysis | Dec 02, 2022 | T162559 |
| L2216412 | Certificate of Analysis | Dec 02, 2022 | T162559 |
| L2216413 | Certificate of Analysis | Dec 02, 2022 | T162559 |
| L2216420 | Certificate of Analysis | Dec 02, 2022 | T162559 |
| L2216422 | Certificate of Analysis | Dec 02, 2022 | T162559 |
| L2216423 | Certificate of Analysis | Dec 02, 2022 | T162559 |
| K1823205 | Certificate of Analysis | Sep 19, 2022 | T162559 |
| K1823204 | Certificate of Analysis | Sep 19, 2022 | T162559 |
| Solubility | Solubility in Methanol |
|---|---|
| Melt Point(°C) | 154 °C |
| Molecular Weight | 238.090 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 237.989 Da |
| Monoisotopic Mass | 237.989 Da |
| Topological Polar Surface Area | 74.600 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 280.000 |
| 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. Yifei Wu, Kun Wu, Fei Xiao, Wenjie Diao, Daguang He, Hui Yang, Jun Shi. (2023) High Thermal Conductivity and Low Dielectric Constant of Polyesters Based on Fluorine and Mesogenic Unit. MACROMOLECULAR CHEMISTRY AND PHYSICS, 224 (19): (2300078). [PMID:] [10.1002/macp.202300078] |
| 2. Tao Huang, Rufang Peng, Bo Jin. (2026) Three novel green bismuth-based combustion catalysts for catalyzing the high-energy oxidizer RDX. CRYSTENGCOMM, [PMID:] [10.1039/D5CE01035G] |
