5-[(3-Chlorophenyl)methyl]-7-(trifluoromethyl)-1H,3H,3aH,4H,5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one CAS 1031212-68-6
| CAS No. | 1031212-68-6 |
| Molecular Formula | C18H14ClF3N2OS |
| Molecular Weight | 398.83 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-[(3-Chlorophenyl)methyl]-7-(trifluoromethyl)-1H,3H,3aH,4H,5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 5-[(3-Chlorophenyl)methyl]-7-(trifluoromethyl)-1H,3H,3aH,4H,5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one (CAS 1031212-68-6), a certified reference material (molecular formula C18H14ClF3N2OS, MW 398.83 g/mol) for analytical method development and quality control.
Owing to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 5-[(3-Chlorophenyl)methyl]-7-(trifluoromethyl)-1H,3H,3aH,4H,5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 398.83 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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), 5-[(3-Chlorophenyl)methyl]-7-(trifluoromethyl)-1H,3H,3aH,4H,5H-[1,3]thiazolo[3,4-a]quinoxalin-4-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 | C18H14ClF3N2OS |
| Molecular Weight | 398.83 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 3-(2-bromoethyl)-1,2-benzothiazole (CAS 1935987-70-4)
- 3-Amino-5-bromo-n-(2-(2-(2-methoxyethoxy)ethoxy)ethyl)benzamide (CAS 1628441-34-8)
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- 10-Fluoro-1,6-dihydrocyclopenta[c]carbazol-3(2H)-one (CAS 1628954-15-3)
- methyl 4-(4-acetamidophenyl)-4-oxobutanoate (CAS 1267904-73-3)
- Custom peptides (CAS CATO-CPTD788509)
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