3-Bromo-1-(tert-butyl)-4-chloro-1H-pyrazolo[3,4-d]pyrimidine CAS 2060040-98-2
| CAS No. | 2060040-98-2 |
| Molecular Formula | C9H10BrClN4 |
| Molecular Weight | 289.56 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-Bromo-1-(tert-butyl)-4-chloro-1H-pyrazolo[3,4-d]pyrimidine (CAS 2060040-98-2), molecular formula C9H10BrClN4 and molecular weight 289.56 g/mol, is a CATO reference standard with documented purity and traceability.
3-Bromo-1-(tert-butyl)-4-chloro-1H-pyrazolo[3,4-d]pyrimidine (C9H10BrClN4) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine/bromine substitution. Halogen substitution raises its density and boiling point; 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.
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 | C9H10BrClN4 |
| Molecular Weight | 289.56 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 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 |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 4 |
Related Bromo Standards
- 4-[(4-bromo-1h-pyrazol-1-yl)methyl]-5-chloro-1,3-dimethyl-1h-pyrazole (CAS 1178837-32-5)
- 5-Bromo-2-chloro-3-(pyrrolidine-1-carbonyl)pyridine (CAS 1249608-32-9)
- 6-Bromo-4-chloro-2,7,7-trimethyl-7H-pyrano[2,3-d]pyrimidine (CAS 1593077-44-1)
- (5-Bromo-2-chloropyridin-4-yl)(pyrrolidin-1-yl)methanone (CAS 1875545-42-8)
- 3-(5-Bromo-2-ethoxyphenyl)acryloyl chloride (CAS 1092300-40-7)
- 2-(2-Bromo-4-chlorophenoxy)cyclopentan-1-one (CAS 1234845-07-8)
- 8-Bromo-6-chloro-2,2-dimethylchroman-4-one (CAS 1342530-69-1)
- 6-Bromo-8-chloro-2,2-dimethyl-3,4-dihydro-2h-1-benzopyran-4-one (CAS 1342961-29-8)
Recommended Standards
- 7-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (CAS 871125-83-6)
- 6-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (CAS 1627721-90-7)
- 8-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline (CAS 2813231-43-3)
- 8-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (CAS 2813231-42-2)
- 2-[(5-Methyl-1,3-benzoxazol-2-yl)methyl]-1H-isoindole-1,3(2H)-dione (CAS 1228553-14-7)
- 2-Acetyl-3'-(benzyloxy)biphenyl (CAS 893739-69-0)
- Folic Acid-d4 (CAS 171777-72-3)
- 5-Phenyl-7-(trifluoromethyl)pyrazolo-[1,5-a]pyrimidine-2-carboxylic acid (CAS 294194-47-1)
- 2,2-Difluoro-4-(hydroxymethyl)-1,3-benzodioxole (CAS 157437-25-7)
- 1-(tert-Butylamino)anthracene-9,10-dione (CAS 65270-01-1)
- Argatroban Impurity 77 (CAS CATO-C4X-100777)
- (S)-2,2,2-trifluoro-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethan-1-amine (CAS 1213566-72-3)
- 4-Methoxy-N-(2-(pyridin-2-yl)ethyl)aniline (CAS 55496-58-7)
- Gly-Neuroendocrine Regulatory Peptide-3 (human, mouse, rat) trifluoroacetate salt (CAS 1815618-19-9)
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