5-((4-Chlorobenzyl)thio)-N-(3,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide CAS 321553-31-5
| CAS No. | 321553-31-5 |
| Molecular Formula | C21H19ClF3N3OS |
| Molecular Weight | 453.91 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
5-((4-Chlorobenzyl)thio)-N-(3,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 321553-31-5), molecular formula C21H19ClF3N3OS and molecular weight 453.91 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C21H19ClF3N3OS, 5-((4-Chlorobenzyl)thio)-N-(3,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 453.91 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C21H19ClF3N3OS |
| Molecular Weight | 453.91 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Chlorobenzyl Standards
- N-(4-chlorobenzyl)-2-((3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)acetamide (CAS 626227-36-9)
- 6-((5-((4-Chlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-yl)methoxy)-2-phenylpyridazin-3(2H)-one (CAS 439112-35-3)
- N-(3-chlorobenzyl)-1-(5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl)piperidine-4-carboxamide (CAS 1291855-47-4)
- S-(2-chlorobenzyl) (1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydropyridin-3-yl)carbamothioate (CAS 338783-79-2)
- 2-((4-Chlorobenzyl)thio)pyrimidine-4-carbaldehyde O-(2,6-dichloroisonicotinoyl) oxime (CAS 263755-78-8)
- N-(2-Chlorobenzyl)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CAS 477234-38-1)
- N-((5-((4-Chlorobenzyl)thio)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-methylaniline (CAS 332872-74-9)
- 2-((4-Chlorobenzyl)sulfonyl)-1,1-bis(4-chlorophenyl)ethanol (CAS 252026-84-9)
Recommended Standards
- 3-Amino-N-(2-chlorophenyl)-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide (CAS 626228-06-6)
- Cloxacillin Impurity 25 (CAS CATO-C4X-159725)
- N-[(2-Chlorophenyl)methyl]-2-{[3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide (CAS 626228-72-6)
- Cloxacillin EP Impurity A (CAS 1642629-96-6)
- (Z)-(E)-Hex-2-en-1-yl hex-3-enoate (CAS 153367-21-6)
- N-Butylpiperidine-4-carboxamide (CAS 73415-55-1)
- (2-Methyl-4-nitro-phenoxy)-acetic acid (CAS 1040078-99-6)
- 2-(Trimethylsilyl)ethanol (CAS 2916-68-9)
- 1-(4-Fluorobenzyl)-6-mercapto-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS 1204298-15-6)
- N-Cyclopropyl-3-iodobenzamide (CAS 909187-12-8)
- 6-Amino-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CAS 1638771-57-9)
- 9,9-Dimethyl-1-oxa-4-azaspiro[5.5]undecane (CAS 1505616-82-9)
- 4,4′-(9,9-Dimethyl-9H-fluorene-2,7-diyl)bis(benzaldehyde) (CAS 1217979-42-4)
- [α-Glu](Side Chain)-Semaglutide (CAS CATO-C4X-2226159)
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