3-Bromo-[1,2,4]triazolo[4,3-b]pyridazine CAS 87841-08-5
| CAS No. | 87841-08-5 |
| Molecular Formula | C5H3BrN4 |
| Molecular Weight | 199.01 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Bromo-[1,2,4]triazolo[4,3-b]pyridazine is closely related to a nitrile group, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3-Bromo-[1,2,4]triazolo[4,3-b]pyridazine (CAS 87841-08-5), a certified reference material (molecular formula C5H3BrN4, MW 199.01 g/mol) for analytical method development and quality control.
Structurally, 3-Bromo-[1,2,4]triazolo[4,3-b]pyridazine (C5H3BrN4) contains a nitrile group, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 199.01 g/mol, it falls into the medium-molecular-weight range. 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 | C5H3BrN4 |
| Molecular Weight | 199.01 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 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 |
| CAS Registry Year (est.) | 1982 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
Related Bromo Standards
- 7-Bromo-[1,2,3,4]tetrazolo[1,5-a]pyridine (CAS 1130816-25-9)
- 6-Bromo-[1,2,4]triazolo[4,3-b]pyridazine (CAS 115127-23-6)
- 7-Bromo-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 120633-31-0)
- 8-Bromo-[1,2,4]triazolo[4,3-c]pyrimidine (CAS 1208084-77-8)
- 6-Bromo[1,2,4]triazolo[1,5-a]pyrazine (CAS 1233026-51-1)
- 3-Bromo-1H-pyrazolo[3,4-d]pyrimidine (CAS 1251033-27-8)
- 3-Bromo-1H-pyrazolo[3,4-c]pyridazine (CAS 1260741-42-1)
- 2-Bromo-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 1335054-80-2)
Recommended Standards
- 3-(3-Pyridyl)phenylboronic Acid (CAS 351422-72-5)
- 4-Amino-2-bromopyrimidine-5-carbonitrile (CAS 94741-70-5)
- 2-bromopurine (CAS 28128-15-6)
- 4-Bromo-1H-pyrazolo[3,4-d]pyrimidine (CAS 30129-51-2)
- 2,4-Dichloro-3-methylpyridine (CAS 132097-09-7)
- 2-(tert-Butyl)-3,4-diphenylisoxazol-5(2H)-one (CAS 112175-82-3)
- N-allyl-2-(6-oxo-1-(3-(trifluoromethyl)benzyl)-1,6-dihydropyridine-3-carbonyl)hydrazine-1-carbothioamide (CAS 477852-93-0)
- 2-[5-Oxo-1-(pyridin-2-yl)-2,5-dihydro-1h-pyrazol-3-yl]acetic acid (CAS 37959-19-6)
- N-Malonylglycine (CAS 6251-17-8)
- (R)-2-((5-(1,2-Dithiolan-3-yl)pentanoyl)oxy)-N,N,N-trimethylethan-1-aminium chloride (CAS 1808266-58-1)
- 3,5-Dibromopyridine-2,4-diol (CAS 80791-78-2)
- Leflunomide EP Impurity C (CAS 61643-23-0)
- 67385-10-8 [2-(2-tert-Butoxycarbonylamino-ethyldisulfanyl)-ethyl]-carbamic acid tert-butyl ester di-tert-butyl (disulfanediylbis(ethane-2,1-diyl))dicarbamate (CAS 67385-10-8)
- Endo-38a-Pro-Exenatide trifluoroacetate salt (CAS 1678416-95-9)
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