(3-(2-Chlorophenyl)-5-methylisoxazol-4-yl)(5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl)methanone CAS 478078-95-4
| CAS No. | 478078-95-4 |
| Molecular Formula | C17H13ClF3N3O2 |
| Molecular Weight | 383.75 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (3-(2-Chlorophenyl)-5-methylisoxazol-4-yl)(5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl)methanone.
(3-(2-Chlorophenyl)-5-methylisoxazol-4-yl)(5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl)methanone (CAS 478078-95-4) is a high-purity analytical reference standard with the molecular formula C17H13ClF3N3O2 and a molecular weight of 383.75 g/mol.
The molecular framework of (3-(2-Chlorophenyl)-5-methylisoxazol-4-yl)(5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl)methanone (C17H13ClF3N3O2) is characterized by a steroid core, an amide 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.
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.
As a certified reference material (CRM), (3-(2-Chlorophenyl)-5-methylisoxazol-4-yl)(5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl)methanone 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 | C17H13ClF3N3O2 |
| Molecular Weight | 383.75 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Related Chlorophenyl Standards
- Tris(4-chlorophenyl)phosphine (CAS 1159-54-2)
- 4-((4-Chlorophenyl)thio)-8-(trifluoromethyl)quinoline-3-carboxylic acid (CAS 860609-91-2)
- 5-(3-Chlorophenyl)-4-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 618072-49-4)
- N-(5-(2-Chlorophenyl)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide (CAS 391863-61-9)
- 1-{3-[4-(4-chlorophenyl)piperazin-1-yl]-5-(trifluoromethyl)pyridin-2-yl}ethan-1-one (CAS 900015-68-1)
- 2-(4-(3-Chlorophenyl)piperazin-1-yl)-N-(2,4,5-trifluorophenyl)acetamide (CAS 303091-66-9)
- Ethyl 3-(((4-chlorophenyl)sulfonyl)methyl)-4-nitrobenzoate (CAS 339101-60-9)
- methyl 5-[3-(4-chlorophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate (CAS 259089-87-7)
Recommended Standards
- N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide (CAS 1008946-71-1)
- 1-(7-Methoxy-1-benzofuran-2-yl)-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone (CAS 478248-97-4)
- 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide 338956-54-0 KS-000039ED (CAS 338956-54-0)
- 2-(3-chloro-2-oxo-2,3-dihydro-1H-indol-4-yl)ethyl 4-(trifluoromethyl)benzoate (CAS 303188-00-3)
- 2-Amino-2-(3,5-dimethoxyphenyl)ethanol (CAS 696598-77-3)
- (E)-(4R,9AS)-7-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]-4-(3,4,5-trifluorophenyl)hexahydropyrido[2,1-c][1,4]oxazin-6-one (CAS 937812-80-1)
- 2-Borono-4-chlorobenzoic acid (CAS 874290-67-2)
- (2E)-2-[(E)-3,5-Dimethyl-1H-pyrazole-1-carbonyl]-3-(dimethylamino)prop-2-enenitrile (CAS 263761-80-4)
- cis-3-(tert-butoxycarbonylamino)-1-hydroxy-cyclobutanecarboxylic acid (CAS 2725791-22-8)
- N-[(E)-2-(4-Bromobenzenesulfonyl)-2-nitroethenyl]-3,5-bis(trifluoromethyl)aniline (CAS 1025617-12-2)
- 3-(2,6-Dinitro-4-(trifluoromethyl)phenyl)-7,12-dioxa-3-azaspiro[5.6]Dodec-9-ene (CAS 339099-24-0)
- (S)-4-Phenylazetidin-2-one (CAS 37088-64-5)
- (S)-1-(3-fluoro-4-methoxyphenyl)-2-methoxyethan-1-amine (CAS 1269929-55-6)
- Semaglutide Impurity 122 (CAS CATO-C4X-2226122)
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