2-(4-Methylbenzenesulfonyl)-5-(trifluoromethyl)aniline CAS 439094-14-1
| CAS No. | 439094-14-1 |
| Molecular Formula | C14H12F3NO2S |
| Molecular Weight | 315.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C14H12F3NO2S, 2-(4-Methylbenzenesulfonyl)-5-(trifluoromethyl)aniline contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 315.31 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
2-(4-Methylbenzenesulfonyl)-5-(trifluoromethyl)aniline (CAS 439094-14-1), molecular formula C14H12F3NO2S and molecular weight 315.31 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C14H12F3NO2S |
| Molecular Weight | 315.31 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Methylbenzenesulfonyl Standards
- 1-(4-Methylbenzenesulfonyl)-2-phenylpiperazine (CAS 912763-17-8)
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Recommended Standards
- (S)-3-((tert-Butoxycarbonyl)amino)-4-(3,5-difluorophenyl)butanoic acid (CAS 2349416-51-7)
- 2,2,3,3-Tetrafluoro-1-(2-(p-tolylamino)cyclohex-1-en-1-yl)propan-1-one (CAS 372966-82-0)
- (S)-3-((tert-Butoxycarbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid (CAS 270063-54-2)
- 4-Allyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol (CAS 862652-27-5)
- 4-Bromo-2-methylbenzo[d]thiazol-6-ol (CAS 2158300-72-0)
- Ethyl 5-(methylthio)-1,3,4-oxadiazole-2-carboxylate (CAS 62373-31-3)
- 5-((5-(2-Hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl)amino)pyrazine-2-carbonitrile (CAS 1234015-69-0)
- 2,2-Dimethyl-3-pentanol (CAS 3970-62-5)
- Ethyl 3-(3-methyl-N-propylbenzamido)propanoate (CAS 1901944-93-1)
- Methyl 3-hydroxy-5-(isopropylthio)thiophene-2-carboxylate (CAS 1710661-41-8)
- 4-(Chloromethyl)-2-(3-iodophenyl)-5-methyloxazole (CAS 1260758-12-0)
- Diethyl hexane-1,6-diyldicarbamate (CAS 3066-65-7)
- 6-Nitrobenzo[c]isothiazole (CAS 20712-11-2)
- Prolactin-Releasing Peptide (1-31) (rat) (CAS 215510-06-8)
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