≥98%(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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488185554 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185554 |
| Canonical Smiles | CCOC(=O)C1=C(C(=C(C(=C1F)F)F)F)F |
| IUPAC Name | ethyl 2,3,4,5,6-pentafluorobenzoate |
| InChIKey | DFUDMSIRGGTHGI-UHFFFAOYSA-N |
| INCHI | 1S/C9H5F5O2/c1-2-16-9(15)3-4(10)6(12)8(14)7(13)5(3)11/h2H2,1H3 |
| Isomeric SMILES | CCOC(=O)C1=C(C(=C(C(=C1F)F)F)F)F |
| Molecular Weight | 240.13 |
| Reaxy-Rn | 2054770 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2054770&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 Carboxylic acid 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 - 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 |
|---|---|---|---|
 F2015013 | Certificate of Analysis | Nov 13, 2025 | E156372 |
| I2319367 | Certificate of Analysis | Jul 10, 2025 | E156372 |
| I2319368 | Certificate of Analysis | Jul 10, 2025 | E156372 |
| I2319369 | Certificate of Analysis | Jul 10, 2025 | E156372 |
| I2319370 | Certificate of Analysis | Jul 10, 2025 | E156372 |
| I2319386 | Certificate of Analysis | Jul 10, 2025 | E156372 |
| G2311083 | Certificate of Analysis | Apr 26, 2022 | E156372 |
| Sensitivity | Moisture sensitive. |
|---|---|
| Refractive Index | 1.428 |
| Flash Point(°F) | 176°F |
| Flash Point(°C) | 80℃ |
| Boil Point(°C) | 112-114°C |
| Molecular Weight | 240.130 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 240.021 Da |
| Monoisotopic Mass | 240.021 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 246.000 |
| 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 |
