2,2-Difluoro-5,5-dimethylcyclohexane-1,3-dione hydrate CAS 1314974-61-2
| CAS No. | 1314974-61-2 |
| Molecular Formula | C8H10F2O2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
2,2-Difluoro-5,5-dimethylcyclohexane-1,3-dione hydrate (CAS 1314974-61-2), molecular formula C8H10F2O2H2O and molecular weight 194.18 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, 2,2-Difluoro-5,5-dimethylcyclohexane-1,3-dione hydrate is typically white to off-white crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 194.18 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C8H10F2O2 H2O |
| Molecular Weight | 194.18 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
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Recommended Standards
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- 5-(Difluoromethyl)-3-methyl-1,2-oxazole (CAS 1823402-96-5)
- (S)-2-Amino-N-(2-iodobenzyl)-N-isopropyl-3-methylbutanamide (CAS 1354002-18-8)
- 4-Bromo-5-cyano-2-fluorobenzoic acid (CAS 1807214-84-1)
- 3-(2-oxopyrrolidin-1-yl)benzene-1-sulfonyl chloride (CAS 344312-54-5)
- diethyl prop-1-yn-1-ylphosphonate (CAS 1067-88-5)
- 3-(4-Nitropyridin-3-yl)thiazolidine 1774896-19-3 (CAS 1774896-19-3)
- Allo-D-Ile17-Tirzepatide (CAS CATO-CPTD788962)
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