Methyl 5-Chloro-1-methyl-1H-pyrazole-4-carboxylate CAS 88398-85-0
| CAS No. | 88398-85-0 |
| Molecular Formula | C6H7ClN2O2 |
| Molecular Weight | 174.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Methyl 5-Chloro-1-methyl-1H-pyrazole-4-carboxylate (CAS 88398-85-0), molecular formula C6H7ClN2O2 and molecular weight 174.58 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Methyl 5-Chloro-1-methyl-1H-pyrazole-4-carboxylate (C6H7ClN2O2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 174.58 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C6H7ClN2O2 |
| Molecular Weight | 174.58 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1982 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Methyl Standards
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Recommended Standards
- methyl 5-(chloromethyl)furan-3-carboxylate (CAS 20416-07-3)
- Macitentan Impurity 49 (CAS CATO-C4X-117549)
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- Urapidil Impurity 14 (CAS 6972-27-6)
- tert-Butyl 2-(2-hydroxyethyl)azetidine-1-carboxylate (CAS 1228646-09-0)
- N1-(Thiophen-2-ylmethyl)benzene-1,2-diamine (CAS 90518-35-7)
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- 2-cyano-4-(trifluoromethyl)benzene-1-sulfonamide (CAS 1248024-54-5)
- 2-[2-(4-Chloro-3-ethylphenoxy)ethyl]piperidinehydrochloride (CAS 1220029-98-0)
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