≥97%(GC) 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
It was used in preparation of photocoupling agent, based on perfluorophenylazide (PFPA)-conjugated polyallylamine, for efficient immobilization of polymers, nanoparticles, graphene and small molecules，and also used in preparation of photoactive reagent N-hydroxysuccinimide (NHS)-PFPA.
| Pubchem Sid | 488190683 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488190683 |
| Canonical Smiles | COC(=O)C1=C(C(=C(C(=C1F)F)F)F)F |
| IUPAC Name | methyl 2,3,4,5,6-pentafluorobenzoate |
| InChIKey | UXJRQNXHCZKHRJ-UHFFFAOYSA-N |
| INCHI | 1S/C8H3F5O2/c1-15-8(14)2-3(9)5(11)7(13)6(12)4(2)10/h1H3 |
| Isomeric SMILES | COC(=O)C1=C(C(=C(C(=C1F)F)F)F)F |
| WGK Germany | 3 |
| Molecular Weight | 226.1 |
| Reaxy-Rn | 2122143 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2122143&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | 4-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| 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 |
|---|---|---|---|
 D2402336 | Certificate of Analysis | Jan 21, 2026 | M135479 |
| D2402338 | Certificate of Analysis | Jan 21, 2026 | M135479 |
| B2526026 | Certificate of Analysis | Mar 14, 2024 | M135479 |
| D2402337 | Certificate of Analysis | Mar 14, 2024 | M135479 |
| D2402339 | Certificate of Analysis | Mar 14, 2024 | M135479 |
| J2510084 | Certificate of Analysis | Mar 14, 2024 | M135479 |
| D2319985 | Certificate of Analysis | Apr 14, 2023 | M135479 |
| H1930154 | Certificate of Analysis | Apr 14, 2023 | M135479 |
| G1515064 | Certificate of Analysis | Jan 09, 2023 | M135479 |
| Refractive Index | 1.43 |
|---|---|
| Flash Point(°F) | 172.4 °F |
| Flash Point(°C) | 78°C |
| Boil Point(°C) | 44 °C/4 mmHg |
| Molecular Weight | 226.100 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 226.005 Da |
| Monoisotopic Mass | 226.005 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 233.000 |
| 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. Lili Guo, Shuang Chao, Pei Huang, Xiukai Lv, Quanquan Song, Chunli Wu, Yuxin Pei, Zhichao Pei. (2019) A Universal Photochemical Method to Prepare Carbohydrate Sensors Based on Perfluorophenylazide Modified Polydopamine for Study of Carbohydrate-Lectin Interactions by QCM Biosensor. Polymers, 11 (6): (1023). [PMID:31185633] [10.3390/polym11061023] |
