≥95%(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.
Used as nucleophilic ally metal precursor in alkylation reaction that generates homoallylic amines. Also used as chemical reagent and intermediate for pharmaceutical.
| Pubchem Sid | 504754206 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754206 |
| Canonical Smiles | C=CCOC(=O)C(F)(F)F |
| IUPAC Name | prop-2-enyl 2,2,2-trifluoroacetate |
| InChIKey | XIVPVSIDXBTZLM-UHFFFAOYSA-N |
| INCHI | 1S/C5H5F3O2/c1-2-3-10-4(9)5(6,7)8/h2H,1,3H2 |
| Isomeric SMILES | C=CCOC(=O)C(F)(F)F |
| Molecular Weight | 154.09 |
| Beilstein | 2(4)467 |
| Reaxy-Rn | 1766312 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1766312&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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Alpha-halocarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alpha-halocarboxylic acid derivatives |
| Alternative Parents | Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 acid derivatives. These are carboxylic acid derivatives 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 |
|---|---|---|---|
 E2316925 | Certificate of Analysis | Jul 27, 2022 | A151105 |
| E2316928 | Certificate of Analysis | Jul 27, 2022 | A151105 |
| E2316931 | Certificate of Analysis | Jul 27, 2022 | A151105 |
| I2227218 | Certificate of Analysis | Jul 27, 2022 | A151105 |
| I2227219 | Certificate of Analysis | Jul 27, 2022 | A151105 |
| I2227223 | Certificate of Analysis | Jul 27, 2022 | A151105 |
| I2227224 | Certificate of Analysis | Jul 27, 2022 | A151105 |
| I2227225 | Certificate of Analysis | Jul 27, 2022 | A151105 |
| J2522124 | Certificate of Analysis | Jul 27, 2022 | A151105 |
| K2527086 | Certificate of Analysis | Jul 27, 2022 | A151105 |
| L2416426 | Certificate of Analysis | Jul 27, 2022 | A151105 |
| Solubility | Not miscible or difficult to mix with water. |
|---|---|
| Sensitivity | Heat sensitive；Moisture sensitive |
| Refractive Index | 1.33 |
| Flash Point(°F) | 30.2 °F - closed cup |
| Flash Point(°C) | -1°C(lit.) |
| Boil Point(°C) | 66°C(lit.) |
| Molecular Weight | 154.090 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 154.024 Da |
| Monoisotopic Mass | 154.024 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 138.000 |
| 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. Yuan-Yuan Zhu, Ting-Ting Yin, Xue-Liang Li, Ming Su, Ya-Xin Xue, Zhi-Peng Yu, Na Liu, Jun Yin, Zong-Quan Wu. (2014) Synthesis and Chiroptical Properties of Helical Polyallenes Bearing Chiral Amide Pendants. MACROMOLECULES, [PMID:] [10.1021/ma5019022] |
