5-((4-Chlorophenyl)sulfonyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile CAS 318239-39-3
| CAS No. | 318239-39-3 |
| Molecular Formula | C12H7ClF3N3O2S |
| Molecular Weight | 349.72 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 5-((4-Chlorophenyl)sulfonyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile.
CATO supplies 5-((4-Chlorophenyl)sulfonyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile (CAS 318239-39-3), a certified reference material (molecular formula C12H7ClF3N3O2S, MW 349.72 g/mol) for analytical method development and quality control.
5-((4-Chlorophenyl)sulfonyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile (C12H7ClF3N3O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C12H7ClF3N3O2S |
| Molecular Weight | 349.72 g/mol |
| 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) | 9.0 |
| 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 Chlorophenyl Standards
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- N-(5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-2-naphthamide (CAS 921100-95-0)
- 2-(4-Chlorophenyl)-2-(4-(4-fluorobenzoyl)phenyl)acetonitrile (CAS 339114-45-3)
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Recommended Standards
- 2-((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methoxy)-5-nitrobenzaldehyde (CAS 219539-02-3)
- 2-chloro-N-[2-(2,6-dioxo-3-piperidyl)-1,3-dioxo-isoindolin-5-yl]acetamide (CAS 1957235-51-6)
- [4-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-pyrimidin-2-ylsulfanyl]-acetic acid (CAS 1311278-94-0)
- 1-{[5-chloro-1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-4-yl]oxy}pyrrolidine-2,5-dione (CAS 320421-76-9)
- 1-(Chloromethyl)-2-((o-tolyloxy)methyl)benzene (CAS 156489-68-8)
- 2-(Benzylsulfanyl)pyridin-4-amine (CAS 1247368-95-1)
- N-Methylcyclobutanamine (CAS 34066-62-1)
- Dimethyl 2-hydroxymalonate (CAS 34259-29-5)
- 2,3-Dichloro-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (CAS 403860-11-7)
- 2-[(2-ethoxyphenyl)formamido]acetic acid (CAS 10263-57-7)
- N-[2-(Hexyloxy)benzyl]-4-isobutoxyaniline (CAS 1040688-13-8)
- 3-(4-Bromophenyl)-2-(4-nitrophenyl)propanenitrile (CAS 1254177-54-2)
- 2-[4-(2-methoxyphenyl)piperazin-1-yl]acetonitrile (CAS 92043-13-5)
- Semaglutide impurity 271 (CAS CATO-C4X-2226271)
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