5-Bromo-N-(4-fluorobenzyl)-6-(1-fluoroethyl)pyrimidin-4-amine CAS 870621-53-7
| CAS No. | 870621-53-7 |
| Molecular Formula | C13H12BrF2N3 |
| Molecular Weight | 328.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 5-Bromo-N-(4-fluorobenzyl)-6-(1-fluoroethyl)pyrimidin-4-amine (C13H12BrF2N3) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/bromine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO supplies 5-Bromo-N-(4-fluorobenzyl)-6-(1-fluoroethyl)pyrimidin-4-amine (CAS 870621-53-7), a certified reference material (molecular formula C13H12BrF2N3, MW 328.16 g/mol) for analytical method development and quality control.
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 | C13H12BrF2N3 |
| Molecular Weight | 328.16 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
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- Methyl 2-bromo-8-(2-methoxypropan-2-yl)imidazo[1,2-b]pyridazine-7-carboxylate (CAS 2434602-59-0)
- 1-Chloro-n-cyclohexyl-n-ethylmethanesulfonamide (CAS 1339476-87-7)
- 2,5-Difluoro-1,4-Benzenediboronic Acid Bis(pinacol) Ester (CAS 303006-90-8)
- (S)-(+)-4-Carboxy[2.2]paracyclophane (CAS 19776-83-1)
- 2,3-Dichloro-6-(trifluoromethyl)aniline (CAS 1017777-92-2)
- 5-Bromo-3-iodo-4,6-dimethylpyridin-2-amine (CAS 1823914-01-7)
- 2-Hydroxy-1,2-bis(3-phenoxyphenyl)ethanone (CAS 93982-56-0)
- 5-Amino-7-methoxy-1-benzofuran-2-carboxylic acid (CAS 1159877-54-9)
- N-(1-((4-Methoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl)ethanesulfonamide (CAS 946283-78-9)
- 3-Cyclopropoxy-N,N-dimethyl-5-(methylthio)pyridin-2-amine (CAS 1243441-38-4)
- Insulin Degludec Impurity 26 (CAS CATO-C4X-215726)
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