(S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetamido)propanoate CAS 5106-00-3
| CAS No. | 5106-00-3 |
| Molecular Formula | C12H11F3N2O6 |
| Molecular Weight | 336.22 g/mol |
| 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.
CATO supplies (S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetamido)propanoate (CAS 5106-00-3), a certified reference material (molecular formula C12H11F3N2O6, MW 336.22 g/mol) for analytical method development and quality control.
Structurally, (S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetamido)propanoate (C12H11F3N2O6) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 336.22 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO manufactures (S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetamido)propanoate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H11F3N2O6 |
| Molecular Weight | 336.22 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- (3E)-3-{[(5-chloro-1,2,3-thiadiazol-4-yl)methoxy]imino}-1-(3-chlorothiophen-2-yl)propan-1-one (CAS 339012-81-6)
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