2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one CAS 95095-46-8
| CAS No. | 95095-46-8 |
| Molecular Formula | C5H4BrF3N4O |
| Molecular Weight | 273.01 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.
2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 95095-46-8) is a high-purity analytical reference standard with the molecular formula C5H4BrF3N4O and a molecular weight of 273.01 g/mol.
Based on its molecular formula C5H4BrF3N4O, 2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one contains an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 273.01 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C5H4BrF3N4O |
| Molecular Weight | 273.01 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) | 4.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 4 |
Related Diamino Standards
- 2,4-Diamino-6-bromo-furo[2,3-d]-pyrimidine-5-carboxylic acid (CAS 1352884-07-1)
- 1,4-Diamino-2-chloroanthraquinone (CAS 54841-24-6)
- 1,5-Diamino-2-chloroanthracene-9,10-dione (CAS 6313-43-5)
- 1,5-Diamino-4-chloroanthracene-9,10-dione (CAS 86965-31-3)
- (S)-2,6-Diamino-N-((S)-1,6-diamino-1-oxohexan-2-yl)hexanamide (CAS 134276-59-8)
- 2,6-Diamino-4-(4-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile (CAS 125240-16-6)
- 2,6-Diamino-4-(2-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile (CAS 208254-22-2)
- 3,3'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic acid (CAS 1799740-97-8)
Recommended Standards
- 4-Bromo-1-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxylic acid (CAS 1856071-67-4)
- 4-Bromo-1-methyl-3-(trifluoromethyl)-1h-pyrazole-5-carboxylic acid (CAS 497833-05-3)
- 4-Bromo-1-(2,2,2-trifluoroethyl)-1h-pyrazole-3-carboxylic acid (CAS 1006471-09-5)
- 4-Bromo-1-methyl-5-(trifluoromethyl)-1h-pyrazole-3-carboxylic acid (CAS 497833-03-1)
- 2-(Ethyl(3-fluorobenzyl)amino)acetic acid (CAS 1178345-52-2)
- <SC>L</SC>-Asparagine-<SUP>15</SUP>N<SUB>2</SUB>,d<SUB>8</SUB> Monodeuterium compound (CAS 118230-33-4)
- Ambroxol Impurity 35 (CAS 36557-04-7)
- (2-Ethylpyrimidin-4-yl)methanamine dihydrochloride (CAS 1332529-51-7)
- 2-Amino-2-(4-methoxyphenyl)ethanol (CAS 138713-55-0)
- 4-Chloro-6-(1-ethoxyvinyl)pyrimidine (CAS 736991-92-7)
- Sodium p-n-tridecylbenzenesulfonate (CAS 14356-40-2)
- ethyl 2-isocyanato-2-methylpropanoate (CAS 128326-91-0)
- 3-Methyl-5,6-dihydroisoxazolo[4,5-d]pyridazine-4,7-dione (CAS 106609-04-5)
- 107444-51-9 0JS9125PIZ Glucagon-like peptide 1 (7-36) Glucagon-related peptide 1 (Rana catesbeiana), 3-L-glutamic acid-10-L-valine-16-glycine-17-L-glutamine-23-L-isoleucine-24-L-alanine-27-L-valine-30-L-argininamide-31-de-L-proline-32-de-L-lysine- Glp-I (7-36) Proglucagon (78-107) Human glucagon-like peptide-1-(7-36) amide Human GLP-1-(7-36)-amide Glucagon-like peptide-I(7-36) amide Rat GLP-I(7-36)amide Insulinotropin (human) MKC 253 UNII-0JS9125PIZ (CAS 107444-51-9)
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