≥97% 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.
Application：
Methyl Heptafluorobutyrate is used in method for preparing high-carbon branched secondary Alcohol, and its application in preparing surfactant.
| Pubchem Sid | 488184002 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184002 |
| Canonical Smiles | COC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| IUPAC Name | methyl 2,2,3,3,4,4,4-heptafluorobutanoate |
| InChIKey | MRPUVAKBXDBGJQ-UHFFFAOYSA-N |
| INCHI | 1S/C5H3F7O2/c1-14-2(13)3(6,7)4(8,9)5(10,11)12/h1H3 |
| Isomeric SMILES | COC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Molecular Weight | 228.07 |
| Beilstein | 2(4)812 |
| Reaxy-Rn | 1792131 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1792131&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 | Organohalogen compounds |
| Class | Alkyl halides |
| Subclass | Alkyl fluorides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Perfluoroalkyl carboxylic acid and derivatives |
| Alternative Parents | Fatty acid esters Methyl esters Alpha-halocarboxylic acid derivatives Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Perfluoroalkyl carboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organofluoride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as perfluoroalkyl carboxylic acid and derivatives. These are organic compounds containing an alkyl chain attached to the C-alpha of a carboxylic acid group (or a derivative thereof), where all hydrogens of the alkyl chain are replaced by fluorine atoms. |
| 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 |
|---|---|---|---|
 E2413412 | Certificate of Analysis | Mar 30, 2024 | M158804 |
| J2221379 | Certificate of Analysis | Aug 12, 2022 | M158804 |
| J2221621 | Certificate of Analysis | Aug 12, 2022 | M158804 |
| J2221625 | Certificate of Analysis | Aug 12, 2022 | M158804 |
| Solubility | Slightly soluble in water; Soluble in Ether,Acetone |
|---|---|
| Refractive Index | 1.29 |
| Flash Point(°C) | -4 °C |
| Boil Point(°C) | 81°C(lit.) |
| Molecular Weight | 228.060 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 228.002 Da |
| Monoisotopic Mass | 228.002 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 231.000 |
| 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 |
