1-(Difluoromethyl)-5-methyl-4-nitro-1h-pyrazole CAS 1245807-32-2
| CAS No. | 1245807-32-2 |
| Molecular Formula | C5H5F2N3O2 |
| Molecular Weight | 177.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-(Difluoromethyl)-5-methyl-4-nitro-1h-pyrazole is closely related to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-(Difluoromethyl)-5-methyl-4-nitro-1h-pyrazole (CAS 1245807-32-2), molecular formula C5H5F2N3O2 and molecular weight 177.11 g/mol, is a CATO reference standard with documented purity and traceability.
1-(Difluoromethyl)-5-methyl-4-nitro-1h-pyrazole (C5H5F2N3O2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine 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.
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 | C5H5F2N3O2 |
| Molecular Weight | 177.11 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| 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 |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Difluoromethyl Standards
- 5-(Difluoromethyl)-3-methyl-1,2-oxazole-4-carboxylic acid (CAS 1018166-17-0)
- 1-(Difluoromethyl)-3-methyl-4-nitro-1h-pyrazole (CAS 1201935-89-8)
- 1-(Difluoromethyl)-5-methyl-3-nitro-1h-pyrazole (CAS 1245772-67-1)
- 4-(Difluoromethyl)pyridine-2,3,5-triol (CAS 1361766-43-9)
- 4-(Difluoromethyl)pyridine-2,3,6-triol (CAS 1361824-36-3)
- 2-(Difluoromethyl)-3,4,5-trihydroxypyridine (CAS 1361855-76-6)
- 5-(Difluoromethyl)-1-methyl-1H-1,2,3-triazole-4-carboxylic acid (CAS 1423028-04-9)
- Methyl 2-(difluoromethyl)oxazole-4-carboxylate (CAS 1627894-72-7)
Recommended Standards
- 1-(2,2-Difluoroethyl)-5-nitro-1h-pyrazole (CAS 1171325-18-0)
- 1-(2,2-Difluoroethyl)-3-nitro-1h-pyrazole (CAS 1171087-45-8)
- Dicyclohexylborane (CAS 1568-65-6)
- 1-(2,2-Difluoroethyl)-4-nitro-1h-pyrazole (CAS 1006442-51-8)
- N-Cyclopropyl-2-methyl-5-nitroaniline (CAS 1250783-56-2)
- 6-Chlorocinnolin-4(1H)-one (CAS 18514-88-0)
- N-Boc-trans-4-amino-L-proline methyl ester HCl salt (CAS 334999-32-5)
- 1-Phenyl-3-(piperidin-4-yloxy)isoquinoline (CAS 89721-29-9)
- 7-Phenyl-6-azaspiro[4.5]Decan-9-ol (CAS 301320-54-7)
- Methyl 5-(phenylsulfonamido)pentanoate (CAS 1330753-91-7)
- Methyl 5-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole-3-carboxylate (CAS 850893-01-5)
- 3-(M-tolyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol (CAS 1082436-86-9)
- 2-((6-Ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)thio)acetic acid (CAS 878709-05-8)
- Semaglutide impurity 272 (CAS CATO-C4X-2226272)
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