9-Benzyl-N-(4-bromophenyl)-2-chloro-9H-purin-6-amine CAS 125802-46-2
| CAS No. | 125802-46-2 |
| Molecular Formula | C18H13BrClN5 |
| Molecular Weight | 414.69 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
9-Benzyl-N-(4-bromophenyl)-2-chloro-9H-purin-6-amine (CAS 125802-46-2) is a high-purity analytical reference standard with the molecular formula C18H13BrClN5 and a molecular weight of 414.69 g/mol.
The molecular framework of 9-Benzyl-N-(4-bromophenyl)-2-chloro-9H-purin-6-amine (C18H13BrClN5) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine/bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C18H13BrClN5 |
| Molecular Weight | 414.69 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1992 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 5 |
Recommended Standards
- Halofuginone (CAS 55837-20-2)
- 9-Benzyl-N-(3-bromophenyl)-2-chloro-9H-purin-6-amine (CAS 125802-58-6)
- 1,3 Bis(4-methacryloxybutyl)tetramethyldisiloxane (CAS 70877-11-1)
- 2-((5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3,5-dichlorophenyl)acetamide (CAS 336179-97-6)
- (2E)-4,4,4-Trifluoro-3-oxo-N-[4-(trifluoromethyl)phenyl]-2-{2-[4-(trifluoromethyl)phenyl]hydrazin-1-ylidene}butanamide (CAS 866131-03-5)
- N-[1-(pyridin-4-yl)propan-2-ylidene]hydroxylamine (CAS 156465-31-5)
- 5'-(4-Sulfophenyl)-[1,1':3',1''-terphenyl]-4,4''-disulfonic acid (CAS 343821-13-6)
- Ammonium 3-carboxypropanoate (CAS 38457-08-8)
- Tepotinib Impurity N54 (CAS 1103506-79-1)
- 2-Chloro-4-(5-chlorovaleryl)pyridine (CAS 898785-09-6)
- N-(3,4-difluorophenyl)azetidine-3-carboxamide (CAS 1829905-71-6)
- 4-[3-Amino-4-(ethylsulfonyl)phenyl]-2-piperazinone (CAS 1220029-09-3)
- n-(5-Chloro-2-hydroxy-4-methylphenyl)acetamide (CAS 153506-14-0)
- Tirzepatide Impurity 33 (CAS CATO-C4X-324033)
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