3-(4-((Trifluoromethyl)thio)phenyl)acrylic acid CAS 21101-67-7
| CAS No. | 21101-67-7 |
| Molecular Formula | C10H7F3O2S |
| Molecular Weight | 248.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-(4-((Trifluoromethyl)thio)phenyl)acrylic acid (CAS 21101-67-7) is a high-purity analytical reference standard with the molecular formula C10H7F3O2S and a molecular weight of 248.22 g/mol.
Structurally, 3-(4-((Trifluoromethyl)thio)phenyl)acrylic acid (C10H7F3O2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 248.22 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.
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 | C10H7F3O2S |
| Molecular Weight | 248.22 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1963 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
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- (2-BROMOMETHYL)-4-METHYL-1-NITROBENZENE 110822-05-4 5-METHYL-2-NITROBENZYL BROMIDE BC004887 BENZENE, 2-(BROMOMETHYL)-4-METHYL-1-NITRO- (CAS 110822-05-4)
- Chroman-6-sulfonyl chloride (CAS 946409-11-6)
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