methyl 3-[(trifluoromethyl)sulfanyl]propanoate CAS 29271-31-6
| CAS No. | 29271-31-6 |
| Molecular Formula | C5H7F3O2S |
| Molecular Weight | 188.17 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 methyl 3-[(trifluoromethyl)sulfanyl]propanoate.
methyl 3-[(trifluoromethyl)sulfanyl]propanoate (CAS 29271-31-6), molecular formula C5H7F3O2S and molecular weight 188.17 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of methyl 3-[(trifluoromethyl)sulfanyl]propanoate (C5H7F3O2S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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), methyl 3-[(trifluoromethyl)sulfanyl]propanoate 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 | C5H7F3O2S |
| Molecular Weight | 188.17 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.) | 1965 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related methyl Standards
- 2-methyl-3-[(trifluoromethyl)sulfanyl]propanoic acid (CAS 1354954-31-6)
- Ethyl 2-((trifluoromethyl)thio)acetate (CAS 65540-51-4)
- 2-[4-(Trifluoromethyl)phenyl]oxirane (CAS 111991-14-1)
- 2-[2-(Trifluoromethyl)phenyl]oxirane (CAS 111991-15-2)
- 3-(Trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (CAS 1150618-34-0)
- 3-Methyl-5-(trifluoromethyl)benzaldehyde (CAS 116070-39-4)
- 5-(Trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine (CAS 1245914-66-2)
- 6-(Trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine (CAS 1260664-09-2)
Recommended Standards
- Methyl (2,2,2-trifluoroethylthio)acetate (CAS 675-81-0)
- Tegoprazan impurity 45 (CAS 1111086-20-4)
- 3-(1H-Pyrazol-4-yl)benzoic acid (CAS 1002535-21-8)
- 4-Ethoxy-2,3-difluoro-6-methylphenol (CAS 886037-78-1)
- ((E)-3-chloro-1-methyl-propenyl)-benzene (CAS 1794-51-0)
- 1-(1-Ethyl-4-methyl-1H-pyrazol-5-yl)-N-((1-isopropyl-1H-pyrazol-5-yl)methyl)methanamine hydrochloride (CAS 1856027-99-0)
- 3-Bromo-4-chlorobenzoyl chloride (CAS 21900-34-5)
- 1-(pyridin-2-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid (CAS 1248469-80-8)
- 2-(2-Hydroxyethylthio)benzaldehyde (CAS 53606-35-2)
- 1-Amino-2-butanol (CAS 13552-21-1)
- Methyl 3'-bromo-4'-fluorobenzoylacetate (CAS 218631-68-6)
- Erdafitinib Impurity 11 (CAS 1346243-54-6)
- Ethyl 3-fluorobenzene-1-carboximidate hydrochloride (CAS 60612-89-7)
- [Tyr15] Fibrinopeptide B, human (CAS 125455-56-3)
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