Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light Ships Wet ice 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.
| Sonrisas canónicas | C(C(C(F)(F)F)O)C(=O)O |
|---|---|
| IUPAC Name | 4,4,4-trifluoro-3-hydroxybutanoic acid |
| InChIKey | ASQMUMZEQLWJRC-UHFFFAOYSA-N |
| INCHI | 1S/C4H5F3O3/c5-4(6,7)2(8)1-3(9)10/h2,8H,1H2,(H,9,10) |
| Isómeros SMILES | C(C(C(F)(F)F)O)C(=O)O |
| CAS alternativo | 400-35-1,86884-21-1 |
| PubChem CID | 228892 |
| Número NSC | 22072 |
| Peso molecular | 158.08 |
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 | Lipids and lipid-like molecules |
| Clase | Fatty Acyls |
| Subclass | Fatty acids and conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Halogenated fatty acids |
| Alternative Parents | Short-chain hydroxy acids and derivatives Hydroxy fatty acids Beta hydroxy acids and derivatives Secondary alcohols Fluorohydrins Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Short-chain hydroxy acid - Hydroxy fatty acid - Halogenated fatty acid - Beta-hydroxy acid - Hydroxy acid - Secondary alcohol - Halohydrin - Fluorohydrin - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as halogenated fatty acids. These are fatty acids with a chain that carries a halogen atom (Cl,F,I,Br). |
| External Descriptors | Not available |
| Sensibilidad | Light sensitive;Moisture sensitive |
|---|---|
| Punto de fusión (°C) | 78-79 |
| Peso molecular | 158.080 g/mol |
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 158.019 Da |
| Monoisotopic Mass | 158.019 Da |
| Topological Polar Surface Area | 57.500 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 130.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |