3-Bromo-1-(difluoromethyl)-1H-pyrazole-4-carboxylic acid CAS 1713589-83-3
| CAS No. | 1713589-83-3 |
| Molecular Formula | C5H3BrF2N2O2 |
| Molecular Weight | 240.99 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Bromo-1-(difluoromethyl)-1H-pyrazole-4-carboxylic acid is closely related to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Bromo-1-(difluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 1713589-83-3), molecular formula C5H3BrF2N2O2 and molecular weight 240.99 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Bromo-1-(difluoromethyl)-1H-pyrazole-4-carboxylic acid (C5H3BrF2N2O2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. 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 240.99 g/mol, it falls into the medium-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).
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 | C5H3BrF2N2O2 |
| Molecular Weight | 240.99 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.) | 1994 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 2 |
Related Bromo Standards
- 5-Bromo-6-(difluoromethyl)pyrimidine-2,4(1H,3H)-dione (CAS 1706456-91-8)
- 5-Bromo-1,1,1,2,2-pentafluoropentane (CAS 1383437-60-2)
- 3-Bromo-5-(trifluoromethyl)phenol (CAS 1025718-84-6)
- 4-Bromo-6-methyl-2-(trifluoromethyl)pyrimidine (CAS 1100767-01-8)
- 4-Bromo-2-methyl-6-(trifluoromethyl)pyrimidine (CAS 1100767-02-9)
- 5-Bromo-4-methyl-2-(trifluoromethyl)pyrimidine (CAS 1100767-04-1)
- 5-Bromo-2-(trifluoromethyl)phenol (CAS 1121585-15-6)
- 4-Bromo-6-(trifluoromethyl)pyridin-3-amine (CAS 1196152-12-1)
Recommended Standards
- 2,3-Dichloro-5-(trifluoromethyl)isonicotinonitrile (CAS 1198475-29-4)
- 2,6-Difluoro-4-iodopyridine (CAS 685517-71-9)
- 2,6-Dichloro-5-(trifluoromethyl)nicotinonitrile (CAS 1319804-30-2)
- 2,6-Difluoro-3-iodopyridine (CAS 685517-67-3)
- Tert-butyl 2-(4-methyl-6-thioxo-1,6-dihydropyridin-3-yl)piperidine-1-carboxylate (CAS 1352485-09-6)
- 1-(4-Nitrophenyl)-1H-benzo[d][1,2,3]triazole (CAS 4490-51-1)
- N-Benzyl-5-methyl-11-oxo-5H,5aH,6H,7H,8H,9H,11H-pyrido[2,1-b]quinazoline-3-carboxamide (CAS 1574546-71-6)
- 1-(2,2-Dimethylpropoxy)-3-nitrobenzene (CAS 1881295-63-1)
- Sulfosuccinimidyl Oleate Sodium (CAS 1212012-37-7)
- Tris(acetylacetonato)yttrium (CAS 15554-47-9)
- 4-Allyl-5-((4-bromophenoxy)methyl)-4H-1,2,4-triazole-3-thiol (CAS 777879-39-7)
- 1-(2'-Methyl-[2,4'-bithiazol]-4-yl)ethan-1-one (CAS 849066-64-4)
- Methyl 5-(4-fluorophenyl)-2-methylthiazole-4-carboxylate (CAS 1007873-79-1)
- Tirzepatide Impurity 14 (CAS CATO-C4X-324014)
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