5-Chloro-1-methyl-4-[(4-methylbenzenesulfonyl)methyl]-3-phenyl-1H-pyrazole CAS 956612-06-9
| CAS No. | 956612-06-9 |
| Molecular Formula | C18H17ClN2O2S |
| Molecular Weight | 360.86 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-Chloro-1-methyl-4-[(4-methylbenzenesulfonyl)methyl]-3-phenyl-1H-pyrazole is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5-Chloro-1-methyl-4-[(4-methylbenzenesulfonyl)methyl]-3-phenyl-1H-pyrazole (CAS 956612-06-9) is a high-purity analytical reference standard with the molecular formula C18H17ClN2O2S and a molecular weight of 360.86 g/mol.
Structurally, 5-Chloro-1-methyl-4-[(4-methylbenzenesulfonyl)methyl]-3-phenyl-1H-pyrazole (C18H17ClN2O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 360.86 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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), 5-Chloro-1-methyl-4-[(4-methylbenzenesulfonyl)methyl]-3-phenyl-1H-pyrazole 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 | C18H17ClN2O2S |
| Molecular Weight | 360.86 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- 4-Chloro-6-(4-(3-(thiophen-2-yl)-1H-pyrazol-5-yl)piperidin-1-yl)pyrimidin-2-amine (CAS 1025762-04-2)
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- 5-Chloro-4-((phenylsulfonyl)methyl)-1,6-dihydro-[1,1'-biphenyl]-3(2H)-one (CAS 306978-18-7)
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Recommended Standards
- Ethyl 2-(2-chloroacetamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 550351-43-4)
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- Isopropyl (1-((4-chlorophenyl)sulfonyl)piperidin-4-yl)carbamate (CAS 478047-74-4)
- 1-(4-Chlorobenzyl)-3-(4-ethyl-5-(methylthio)-4H-1,2,4-triazol-3-yl)pyridin-2(1H)-one (CAS 400075-00-5)
- Methyl 2-(4-(chlorosulfonyl)-2-fluorophenoxy)acetate (CAS 1291488-79-3)
- 1,4-Dimethoxy-2-nitro-3-[(E)-2-nitroethenyl]benzene (CAS 143814-63-5)
- 2-((4-Allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide (CAS 539812-49-2)
- 4-Chloro-N-(1,1-dimethoxy-2-methylpropan-2-yl)aniline (CAS 306979-56-6)
- 2,6-Methano-3-benzazocin-8-ol, 3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-, (2R,6R,11R)-rel- (CAS 63903-61-7)
- 1-Amino-5-(phenylthio)anthracene-9,10-dione (CAS 41008-13-3)
- Ethyl 3-(4-Methyl-1-piperazinyl)propanoate (CAS 7148-05-2)
- 6-Azaspiro[2.5]Octane-5-carboxylic acid (CAS 2166620-97-7)
- 1-Methyl-3-(pyridin-2-yl)-1H-pyrazol-5-ol (CAS 1279105-86-0)
- Polyphemusin II-Derived Peptide (CAS 229030-20-0)
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