1,1,1-Trifluoropropan-2-yl acetate CAS 400-37-3
| CAS No. | 400-37-3 |
| Molecular Formula | C5H7F3O2 |
| Molecular Weight | 156.10 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
1,1,1-Trifluoropropan-2-yl acetate (CAS 400-37-3), molecular formula C5H7F3O2 and molecular weight 156.10 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1,1,1-Trifluoropropan-2-yl acetate (C5H7F3O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 1.0, corresponding to approximately 1 ring(s) or double-bond equivalent(s). With a molecular weight of 156.10 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.
Physical & Chemical Properties
| Molecular Formula | C5H7F3O2 |
| Molecular Weight | 156.10 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) | 1.0 |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
Related Trifluoropropan Standards
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- 1,1,1-Trifluoropropan-2-yl carbonochloridate (CAS 136205-25-9)
- (1,1,1-Trifluoropropan-2-yl)hydrazine (CAS 118737-68-1)
- N-(1,1,1-trifluoropropan-2-yl)thietan-3-amine (CAS 1872744-80-3)
- 4-(1,1,1-Trifluoropropan-2-yl)aniline (CAS 393514-05-1)
- (R)-1,1,1-Trifluoropropan-2,3,3,3-d4-2-amine (CAS 2648053-61-4)
- (S)-1,1,1-Trifluoropropan-2-amine (CAS 125278-10-6)
Recommended Standards
- 1-(5-Nitroisoxazol-3-yl)ethanone (CAS 340014-77-9)
- 1,2,5-Oxadiazole-3,4-dicarboxamide (CAS 56873-33-7)
- 1-(4-Nitroisoxazol-5-yl)ethanone (CAS 518994-53-1)
- 1,3,5-Triazine-2,4,6-tricarbonitrile (CAS 7615-57-8)
- H-3,5-Diiodo-Tyr-OMe · HCl (CAS 151266-48-7)
- 4,5-Difluoro-3,3-dimethylindolin-2-one (CAS 1159009-98-9)
- tert-Butyl (R)-3-(2-nitrobenzyl)piperazine-1-carboxylate (CAS 1260588-39-3)
- 2-Chloro-N-(5-chloropyridin-2-yl)acetamide hydrochloride (CAS 482374-73-2)
- 1-((6-Methylpyridin-2-yl)methyl)-1h-pyrazol-3-amine (CAS 1372891-89-8)
- Ethyl 2-methyl-5-(methylamino)thiazole-4-carboxylate (CAS 128242-99-9)
- N-(4-Bromo-3-methylphenyl)-3-chlorobenzamide (CAS 346698-34-8)
- 1-Benzyl-N'-(3-chlorobenzoyl)piperidine-4-carbohydrazide (CAS 672949-67-6)
- 5-(4-Chlorophenyl)-4-(phenyldiazenyl)-1H-pyrazole (CAS 338414-62-3)
- Tirzepatide Impurity 37 (CAS CATO-C4X-324037)
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