Methyl 6-bromo-2-(trifluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate CAS 2138253-50-4
| CAS No. | 2138253-50-4 |
| Molecular Formula | C9H5BrF3N3O2 |
| Molecular Weight | 324.05 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 6-bromo-2-(trifluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate (CAS 2138253-50-4), molecular formula C9H5BrF3N3O2 and molecular weight 324.05 g/mol, is a CATO reference standard with documented purity and traceability.
Methyl 6-bromo-2-(trifluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate (C9H5BrF3N3O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine 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. 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.
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 | C9H5BrF3N3O2 |
| Molecular Weight | 324.05 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 |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 3 |
Related Methyl Standards
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- 3-Bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine (CAS 1774894-72-2)
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Recommended Standards
- N-(2-furylmethyl)methanesulfonamide (CAS 6341-33-9)
- S-(2,6-Dibromobenzyl) ethanethioate (CAS 256651-54-4)
- Tetrasul (CAS 2227-13-6)
- 1-Hydroxy-1,3-dioxo-1,3-dihydro-1λ5-benzo[d][1,2]iodaoxole-4-carboxylic acid (CAS 426832-99-7)
- 2-Amino-3,3,3-trifluoro-2-methylpropanoic acid (CAS 422-23-1)
- 7-Isopropyl-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid (CAS 924867-85-6)
- Sodium 4-((2-(4-nitrophenyl)hydrazono)methyl)benzene-1,3-disulfonate (CAS 193149-77-8)
- (S)-3-((tert-Butoxycarbonyl)amino)hex-5-enoic acid (CAS 270263-03-1)
- Beryllium sulfate tetrahydrate (CAS 7787-56-6)
- Oleandomycin (CAS 3922-90-5)
- Ethyl 3-amino-5-chloro-1H-indole-2-carboxylate (CAS 62578-58-9)
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