1,1,1-trifluorohexane-2,4-dione 1-(Trifluoroacetyl)butan-2-one 2,4-Dioxo-1,1,1-trifluorohexane 400-54-4 CAS 400-54-4
| CAS No. | 400-54-4 |
| Molecular Formula | C6H7F3O2 |
| Molecular Weight | 168.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1,1,1-trifluorohexane-2,4-dione 1-(Trifluoroacetyl)butan-2-one 2,4-Dioxo-1,1,1-trifluorohexane 400-54-4 (CAS 400-54-4), molecular formula C6H7F3O2 and molecular weight 168.11 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1,1,1-trifluorohexane-2,4-dione 1-(Trifluoroacetyl)butan-2-one 2,4-Dioxo-1,1,1-trifluorohexane 400-54-4 (C6H7F3O2) 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 168.11 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 1,1,1-trifluorohexane-2,4-dione 1-(Trifluoroacetyl)butan-2-one 2,4-Dioxo-1,1,1-trifluorohexane 400-54-4 meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C6H7F3O2 |
| Molecular Weight | 168.11 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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.) | 1957 |
| Halogen Content | F-containing |
Related trifluorohexane Standards
Recommended Standards
- 2,2,2-trifluoroethyl (2E)-but-2-enoate 2,2,2-trifluoroethyl but-2-enoate 287957-36-2 (CAS 287957-36-2)
- (E)-4,4,4-trifluorobut-2-enoic acid 4,4,4-trifluoro Crotonic acid 406-10-0 (CAS 406-10-0)
- Pyrimidine-4,5-dicarboxylic acid (CAS 54001-63-7)
- Bortezomib Impurity 42 (CAS 89-01-0)
- 2-Nitro-3-(trifluoromethoxy)benzyl bromide (CAS 1258547-44-2)
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