Hexafluoro-4-(trifluoromethyl)pent-2-enoic acid CAS 239795-58-5
| CAS No. | 239795-58-5 |
| Molecular Formula | C6HF9O2 |
| Molecular Weight | 276.06 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Hexafluoro-4-(trifluoromethyl)pent-2-enoic acid.
Hexafluoro-4-(trifluoromethyl)pent-2-enoic acid (CAS 239795-58-5) is a high-purity analytical reference standard with the molecular formula C6HF9O2 and a molecular weight of 276.06 g/mol.
Structurally, Hexafluoro-4-(trifluoromethyl)pent-2-enoic acid (C6HF9O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 276.06 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C6HF9O2 |
| Molecular Weight | 276.06 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
Related Hexafluoro Standards
- (E)-2,3,4,5,5,5-Hexafluoro-4-(trifluoromethyl)pent-2-enoic acid (CAS 103229-89-6)
- (Z)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol (CAS 239463-99-1)
- [2,3,3,4,4,4-Hexafluoro-2-(trifluoromethyl)butyl]oxirane (CAS 239463-94-6)
- 1,1,1,2,2,3-Hexafluoro-3-trifluoromethyl-5-hexanone (CAS 261503-76-8)
- 2,2,3,3,4,4-Hexafluoro-4-sulfobutanoic acid (CAS 83071-25-4)
- 2',3,3',4',5',6'-Hexafluoro[1,1'-biphenyl]-4-amine (CAS 893737-79-6)
- 1,1,1,3,3,3-Hexafluoro-2-iodopropane (CAS 4141-91-7)
- 1,1,1,3,3,3-Hexafluoro-2-(4-(hydroxymethyl)phenyl)propan-2-ol (CAS 1338564-44-5)
Recommended Standards
- 6-bromo-5-fluoro-8-nitro-3,4-dihydro-2H-1-benzopyran (CAS 2634647-15-5)
- 2-(6,7-Dichloro-3-oxo-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)acetic acid (CAS 1003872-84-1)
- 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1H-pyrazole (CAS 1970184-05-4)
- 4-Iodo-3-methylbenzohydrazide (CAS 1022524-08-8)
- 5-Hexyl-3-methyl-2-phenylfuran (CAS 89932-18-3)
- N-(4-(5-Cyano-1-ethyl-1H-pyrrol-2-yl)phenyl)ethanesulfonamide (CAS 922506-17-0)
- 2-(4-(4-Iodophenyl)-1H-pyrazol-1-yl)propanoic acid (CAS 1394023-30-3)
- Nimodipine Impurity 53 (CAS CATO-C4X-138553)
- 3-[(2-Hydroxyethylamino)-methyl]-7-methoxy-1H-quinolin-2-one (CAS 462067-64-7)
- 1-Fluoro-4-iodonaphthalene (CAS 17318-09-1)
- 4-Bromo-6-methylnicotinic acid (CAS 1060805-96-0)
- L-Proline-2,5,5-d3 (CAS 65807-22-9)
- 6-(Ethylamino)pyrazine-2-carboxylic acid (CAS 124367-58-4)
- Semaglutide impurity 26 (CAS CATO-C4X-222626)
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