(2Z)-2-(Benzenesulfonyl)-1-(2-chloro-4,5-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one CAS 400088-09-7
| CAS No. | 400088-09-7 |
| Molecular Formula | C17H14ClF2NO3S |
| Molecular Weight | 385.81 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.
CATO supplies (2Z)-2-(Benzenesulfonyl)-1-(2-chloro-4,5-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one (CAS 400088-09-7), a certified reference material (molecular formula C17H14ClF2NO3S, MW 385.81 g/mol) for analytical method development and quality control.
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, (2Z)-2-(Benzenesulfonyl)-1-(2-chloro-4,5-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 385.81 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), (2Z)-2-(Benzenesulfonyl)-1-(2-chloro-4,5-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one 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 | C17H14ClF2NO3S |
| Molecular Weight | 385.81 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- Thiamine Impurity 54 (CAS 1124-01-2)
- 1-(2,3-Dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one (CAS 884504-45-4)
- 9-Ethoxy-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one (CAS 886366-71-8)
- (3-Fluoropyridin-4-yl)methanamine dihydrochloride (CAS 1257535-26-4)
- 3-Chloro-N-(1H-indazol-6-yl)propane-1-sulfonamide (CAS 1092345-50-0)
- 1,4-Bis(4-hydroxyphenoxy)butane (CAS 101848-49-1)
- (1R,3S,4S)-2-azabicyclo[2.1.0]Pentane-3-carboxylic acid (CAS 68517-49-7)
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- Semaglutide impurity 26 (CAS CATO-C4X-222626)
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