3-{[3,5-bis(trifluoromethyl)benzene]sulfonamido}-3-(2-chlorophenyl)propanoic acid CAS 796083-75-5
| CAS No. | 796083-75-5 |
| Molecular Formula | C17H12ClF6NO4S |
| Molecular Weight | 475.79 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.
CATO supplies 3-{[3,5-bis(trifluoromethyl)benzene]sulfonamido}-3-(2-chlorophenyl)propanoic acid (CAS 796083-75-5), a certified reference material (molecular formula C17H12ClF6NO4S, MW 475.79 g/mol) for analytical method development and quality control.
Structurally, 3-{[3,5-bis(trifluoromethyl)benzene]sulfonamido}-3-(2-chlorophenyl)propanoic acid (C17H12ClF6NO4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 475.79 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C17H12ClF6NO4S |
| Molecular Weight | 475.79 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related bis Standards
- 3-(Trifluoromethyl)phenyl 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamido}acetate (CAS 866131-07-9)
- 3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(1-pyrrolidinyl)cyclohexyl]amino]-3-cyclobutene-1,2-dione (CAS 1211565-10-4)
- 3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]amino]-3-cyclobutene-1,2-dione (CAS 1346683-42-8)
- 1-(3,5-Bis(trifluoromethyl)benzyl)-N-(2,4-difluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide (CAS 338781-90-1)
- 5'-(Trifluoromethyl)-[1,1':3',1''-terphenyl]-3,3'',5,5''-tetracarboxylic acid (CAS 1433189-29-7)
- 3-(Trifluoromethyl)-N-{4-[3-(trifluoromethyl)benzenesulfonyl]phenyl}benzamide (CAS 339104-90-4)
- Ethyl 3-[3-(trifluoromethyl)phenyl]-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,4-triazine-6-carboxylate (CAS 338956-94-8)
- 329701-98-6 4,6-bis[3-(trifluoromethyl)phenoxy]-2-pyrimidinyl methyl sulfone KS-00003OHH (CAS 329701-98-6)
Recommended Standards
- Barium cyclohexanebutyrate (CAS 62669-65-2)
- N-Lignoceroyl Taurine (CAS 807370-75-8)
- 3-(2-Chloro-6-fluorophenyl)-5-methyl-N-{3-[5-(trifluoromethyl)pyridin-2-yl]phenyl}-1,2-oxazole-4-carboxamide (CAS 1092346-37-6)
- 3-(6-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}pyridin-2-yl)-1-[3-(trifluoromethyl)phenyl]urea (CAS 477864-65-6)
- 4-Bromo-4,4-difluoro-1-phenylbutane-1,3-dione (CAS 1032273-54-3)
- Hexafluorophosphoric acid solution (CAS 16940-81-1)
- [(Furan-3-yl)methyl](2-methylpropyl)amine (CAS 1148027-20-6)
- 1-(4-Fluoro-3,5-dimethylphenyl)ethan-1-ol (CAS 1443344-18-0)
- 5-Chloro-2,3-dibromonitrobenzene (CAS 96558-77-9)
- N-((1-(2-Hydroxyethyl)pyrrolidin-2-yl)methyl)-N-isopropylacetamide (CAS 1353963-72-0)
- n-(2-(Difluoromethoxy)benzyl)cyclopropanamine (CAS 1016674-97-7)
- 4-Bromo-5-methoxypyrimidine (CAS 1211184-80-3)
- 2-Amino-1-(3-bromopiperidin-1-yl)ethanone (CAS 1353961-83-7)
- Des-Gly34-Tirzepatide (CAS CATO-CPTD788940)
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