2,8-Dibromo-5,5-difluoro-1,3,7,9-tetramethyl-10-(pyridin-4-yl)-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide CAS 1600531-44-9
| CAS No. | 1600531-44-9 |
| Molecular Formula | C18H16BBr2F2N3 |
| Molecular Weight | 482.96 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C18H16BBr2F2N3, 2,8-Dibromo-5,5-difluoro-1,3,7,9-tetramethyl-10-(pyridin-4-yl)-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 482.96 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
2,8-Dibromo-5,5-difluoro-1,3,7,9-tetramethyl-10-(pyridin-4-yl)-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide (CAS 1600531-44-9), molecular formula C18H16BBr2F2N3 and molecular weight 482.96 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C18H16BBr2F2N3 |
| Molecular Weight | 482.96 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| 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) | 10.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
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- Methyl 1-amino-2,2-dimethylcyclopentane-1-carboxylate (CAS 1523504-79-1)
- 1,1-Difluoro-1-phenylpropan-2-ol (CAS 29548-92-3)
- 1-Methyl-3-azabicyclo[3.1.0]hexane (CAS 32178-61-3)
- 6-(2,3-Difluorophenyl)nicotinic acid (CAS 744261-55-0)
- 2-Fluoro-2-(naphthalen-2-yl)acetic acid (CAS 172800-35-0)
- 1-Naphthohydrazide (CAS 43038-45-5)
- 3-(6-(2,4-Dimethylphenyl)thiazolo[3,2-b][1,2,4]triazol-2-yl)propanoic acid (CAS 1437457-91-4)
- 2-Bromo-5-nitro-1,1'-biphenyl (CAS 489409-86-1)
- (2R,3R)-1-(diphenylmethyl)-2-methylazetidin-3-ol (CAS 164906-65-4)
- Tirzepatide Impurity 34 (CAS CATO-C4X-324034)
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