1-(4-Chlorobenzyl)-3,5-dimethyl-4-nitro-1h-pyrazole CAS 333311-68-5
| CAS No. | 333311-68-5 |
| Molecular Formula | C12H12ClN3O2 |
| Molecular Weight | 265.70 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, 1-(4-Chlorobenzyl)-3,5-dimethyl-4-nitro-1h-pyrazole is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 265.70 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
1-(4-Chlorobenzyl)-3,5-dimethyl-4-nitro-1h-pyrazole (CAS 333311-68-5) is a high-purity analytical reference standard with the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol.
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.
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 | C12H12ClN3O2 |
| Molecular Weight | 265.70 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Chlorobenzyl Standards
- 1-(3-Chlorobenzyl)-5-ethyl-1h-1,2,3-triazole-4-carboxylic acid (CAS 1266837-89-1)
- 1-(2-Chlorobenzyl)-5-ethyl-1h-1,2,3-triazole-4-carboxylic acid (CAS 1267322-14-4)
- 1-(2-Chlorobenzyl)-3,5-dimethyl-4-nitro-1h-pyrazole (CAS 333311-70-9)
- N'-(2-Chlorobenzyl)-5-methylisoxazole-3-carbohydrazide (CAS 91396-23-5)
- Ethyl 2-(4-Chlorobenzyl)oxazole-4-carboxylate (CAS 1309576-06-4)
- Ethyl 2-(2-Chlorobenzyl)oxazole-4-carboxylate (CAS 1309576-09-7)
- 2-(4-Chlorobenzyl)-4-isopropylcyclohexan-1-amine (CAS 1406513-68-5)
- 1-(4-Chlorobenzyl)piperidin-4-amine hydrochloride (CAS 1158497-67-6)
Recommended Standards
- 1-(3-Chlorophenyl)-5-methoxy-N-methyl-1H-pyrazole-3-carboxamide (CAS 54708-68-8)
- 1-(4-Chlorophenyl)-3-(4,5-dimethyloxazol-2-yl)urea (CAS 35629-59-5)
- 2-((5-Chloro-2-methylquinolin-8-yl)oxy)-N-hydroxyacetimidamide (CAS 88757-39-5)
- 1-(2-Bromoethyl)urea (CAS 40380-05-0)
- 1-(5-Methoxy-3-methyl-1-benzofuran-2-yl)ethan-1-one (CAS 33038-32-3)
- (2-Bromophenyl)(4-(tert-butyl)phenyl)methanol (CAS 1186677-92-8)
- 3-Chloro-2-(m-tolyloxy)aniline (CAS 937604-51-8)
- 4-(4-Bromophenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-amine (CAS 1247489-90-2)
- Ethyl 2-(pyridin-4-yl)pyrimidine-5-carboxylate (CAS 259807-46-0)
- N,N'-([1,2,5]Oxadiazolo[3,4-b]pyrazine-5,6-diyl)bis(hydroxylamine) (CAS 132029-06-2)
- 1-(2,6-Dichlorobenzamido)cyclohexane-1-carboxylic acid (CAS 912763-73-6)
- Ketoconazole Impurity 35 (CAS CATO-C4X-147235)
- 6-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazine (CAS 2223035-24-1)
- Semaglutide impurity 66 (CAS CATO-C4X-222666)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com