diphenyl [({[2-chloro-5-(trifluoromethyl)anilino]carbothioyl}amino)(2,4-dichlorophenyl)methyl]phosphonate CAS 680214-52-2
| CAS No. | 680214-52-2 |
| Molecular Formula | C27H19Cl3F3N2O3PS |
| Molecular Weight | 645.84 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of diphenyl [({[2-chloro-5-(trifluoromethyl)anilino]carbothioyl}amino)(2,4-dichlorophenyl)methyl]phosphonate (C27H19Cl3F3N2O3PS) is characterized by a steroid core, an amide group, a sulfone group, a phosphonate group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
diphenyl [({[2-chloro-5-(trifluoromethyl)anilino]carbothioyl}amino)(2,4-dichlorophenyl)methyl]phosphonate (CAS 680214-52-2), molecular formula C27H19Cl3F3N2O3PS and molecular weight 645.84 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.
As a certified reference material (CRM), diphenyl [({[2-chloro-5-(trifluoromethyl)anilino]carbothioyl}amino)(2,4-dichlorophenyl)methyl]phosphonate 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 | C27H19Cl3F3N2O3PS |
| Molecular Weight | 645.84 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 16.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- methyl 12-((2S,4R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxypyrrolidin-1-yl)-12-oxododecanoate (CAS 1159408-69-1)
- 1,5-Dihydroxy-4-nitro-2,6-dinonyl-8-(phenylthio)anthracene-9,10-dione (CAS 84674-84-0)
- (R)-3-methylheptanoic acid (CAS 57403-74-4)
- 2-{3-oxo-2h,3h-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetonitrile (CAS 1016878-15-1)
- n-Nonanoic acid 4-(5-n-decyl-pyrimidin-2-yl)phenyl ester (CAS 129470-93-5)
- Quaternium-73 (CAS 15763-48-1)
- 2-(5-(4-Chlorobenzoyl)thiophen-2-yl)acetonitrile (CAS 338422-77-8)
- Ethyl (3R,4S)-4-(4-(difluoromethoxy)phenyl)pyrrolidine-3-carboxylate hydrochloride (CAS 2324690-08-4)
- 2-Chloro-3-(2-chloroethyl)quinoline (CAS 62595-04-4)
- 3-(5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl)aniline (CAS 1197229-53-0)
- Ethyl 1-ethyl-3-(trifluoromethyl)-1h-pyrazole-5-carboxylate (CAS 1001519-11-4)
- C-telopeptide (CAS 162929-64-8)
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