4-Methylbenzenesulfonate L-Phenylalanine 2,2,2-Trichloroethyl Ester CAS 69472-84-0
| CAS No. | 69472-84-0 |
| Molecular Formula | C11H12Cl3NO2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-Methylbenzenesulfonate L-Phenylalanine 2,2,2-Trichloroethyl Ester (C11H12Cl3NO2C7H8O3S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO supplies 4-Methylbenzenesulfonate L-Phenylalanine 2,2,2-Trichloroethyl Ester (CAS 69472-84-0), a certified reference material (molecular formula C11H12Cl3NO2C7H8O3S, MW 468.77 g/mol) for analytical method development and quality control.
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.
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 | C11H12Cl3NO2 C7H8O3S |
| Molecular Weight | 468.77 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1976 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Methylbenzenesulfonate Standards
- Sodium 4-methylbenzenesulfonate (CAS 12068-03-0)
- Methyl 3-methylbenzenesulfonate (CAS 126865-07-4)
- SODIUM 2-METHYLBENZENESULFONATE (CAS 15046-75-0)
- 4-(4-Methylbenzenesulfonate)-4-isoquinolinol (CAS 1532-82-7)
- 4-methylbenzenesulfonate,4-nitrobenzenediazonium (CAS 1947-33-7)
- Methyl 2-methylbenzenesulfonate (CAS 23373-38-8)
- (3Z)-1-(4-Methylbenzenesulfonate) 3-Hexen-1-ol (CAS 34019-85-7)
- Ammonium 4-methylbenzenesulfonate (CAS 4124-42-9)
Recommended Standards
- tert-Butyl 3-(cyanomethyl)benzoate (CAS 1091611-71-0)
- 4-(2-(Trifluoromethyl)benzyl)tetrahydro-2h-thiopyran-4-carboxylic acid 1,1-dioxide (CAS 2197052-41-6)
- 2-Bromo-1-(2-bromo-5-fluorophenyl)ethan-1-one (CAS 1427446-94-3)
- Ethyl 2-(4-amino-2-chlorophenyl)acetate (CAS 50712-59-9)
- Biotin impurity 35 (CAS 1374019-64-3)
- Benzylpenicillin Impurity 80 (CAS CATO-C4X-189980)
- 4-Chloro-3-phenyl-1,2-oxazole-5-sulfonyl chloride (CAS 1263215-06-0)
- 3-(4-Bromophenyl)-5-methyl-1H-pyrazol-4-amine (CAS 246863-97-8)
- 1-Pentanethiol (CAS 110-66-7)
- Tirzepatide Impurity 45 (CAS CATO-C4X-324045)
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