3-(4-Bromophenyl)-6-(4-(trifluoromethyl)benzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one CAS 893921-74-9
| CAS No. | 893921-74-9 |
| Molecular Formula | C18H11BrF3N5O |
| Molecular Weight | 450.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 450.21 g/mol gives 3-(4-Bromophenyl)-6-(4-(trifluoromethyl)benzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 3-(4-Bromophenyl)-6-(4-(trifluoromethyl)benzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one (CAS 893921-74-9), a certified reference material (molecular formula C18H11BrF3N5O, MW 450.21 g/mol) for analytical method development and quality control.
Structurally, 3-(4-Bromophenyl)-6-(4-(trifluoromethyl)benzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one (C18H11BrF3N5O) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 450.21 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C18H11BrF3N5O |
| Molecular Weight | 450.21 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.) | 1987 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 5 |
Related Bromophenyl Standards
- 5,6-Bis(4-bromophenyl)imidazo[2,1-b]thiazol-3(2H)-one (CAS 876404-73-8)
- 5-(3-Bromophenyl)-5,11-dihydro-1,3-dimethyl-1H-indeno[2′,1′:5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione (CAS 325746-94-9)
- 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide (CAS 333311-59-4)
- 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2,5-dimethoxyphenyl)acetamide (CAS 332372-76-6)
- (3E)-3-{[(2-bromophenyl)methoxy]imino}-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]propan-1-one (CAS 339279-41-3)
- {2-[(4-bromophenyl)sulfanyl]pyridin-3-yl}methyl N-(4-chlorophenyl)carbamate (CAS 478031-20-8)
- N-(4-((4-bromophenyl)sulfonyl)phenyl)-3-chlorobenzamide (CAS 339031-54-8)
- 6-{[(4-bromophenyl)sulfanyl]methyl}-2-{[(4-methoxyphenyl)methyl]sulfanyl}pyrimidin-4-ol (CAS 866143-65-9)
Recommended Standards
- (1S)-3,3'-dibromo-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diamine (CAS 960591-84-8)
- 3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4H-1,2,4-triazol-4-amine (CAS 300541-57-5)
- (1R)-3,3'-Dibromo-5,5',6,6',7,7',8,8'-octahydro[1,1'-binaphthalene]-2,2'-diamine (CAS 950769-11-6)
- bis[3,5-bis(trifluoromethyl)phenyl]acetylene (CAS 397864-20-9)
- N-(3-Chlorophenyl)-2-(imidazo[2,1-b]thiazol-6-yl)acetamide (CAS 923892-68-6)
- Cis-1-Benzyl-3A-Phenylhexahydro-1H-Indol-6(2H)-One (CAS 24876-57-1)
- (S)-1-Acetylpiperidin-3-yl 4-methylbenzenesulfonate (CAS 1354018-09-9)
- 6-Amino-5-methoxy-2,3-dihydro-1H-inden-1-one (CAS 1092348-51-0)
- 2-(Ethylsulfanyl)-5-nitrobenzoic acid (CAS 1019613-59-2)
- (3-Fluorophenyl)(thiophen-3-yl)methanol (CAS 1184754-50-4)
- Vericiguat Impurity 27 (CAS CATO-C4X-289627)
- Tert-butyl thiomorpholine-3-carboxylate 1,1-dioxide (CAS 1909309-07-4)
- 2-((1,3,4-Thiadiazol-2-yl)thio)-1-(2,5-dimethylphenyl)ethan-1-one (CAS 867302-88-3)
- Peptide 432 (CAS CATO-CPTD788432)
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