6-((3-(3-Bromophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-(3-methylbenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one CAS 1040640-41-2
| CAS No. | 1040640-41-2 |
| Molecular Formula | C21H16BrN7O2 |
| Molecular Weight | 478.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
6-((3-(3-Bromophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-(3-methylbenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one (CAS 1040640-41-2), molecular formula C21H16BrN7O2 and molecular weight 478.30 g/mol, is a CATO reference standard with documented purity and traceability.
6-((3-(3-Bromophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-(3-methylbenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one (C21H16BrN7O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 6-((3-(3-Bromophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-(3-methylbenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C21H16BrN7O2 |
| Molecular Weight | 478.30 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 7 |
Related Bromophenyl Standards
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Recommended Standards
- Triphenylbismuth difluoride (CAS 2023-48-5)
- 2',3',5',6'-Tetrafluoro-[1,1':4',1''-terphenyl]-3,3'',5,5''-tetracarboxylic acid (CAS 1119196-00-7)
- 4-(2,4-Dichlorophenyl)-2-(morpholin-4-yl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (CAS 341964-98-5)
- 3-((3,4-Dichlorobenzyl)sulfinyl)-4-ethyl-5-((3-(trifluoromethyl)phenoxy)methyl)-4H-1,2,4-triazole (CAS 956961-74-3)
- 5-Ethyl-1-octyl-1H-1,2,4-triazole (CAS 209969-92-6)
- N-((3,4-dimethoxyphenyl)sulfonyl)-N-(p-tolyl)glycine (CAS 333357-43-0)
- 2-Methoxy-4-(methoxymethyl)phenol (CAS 5533-03-9)
- 3-Oxo-7-(trifluoromethyl)isoindoline-5-carboxylic acid (CAS 2368849-19-6)
- N-(p-tolyl)propionamide (CAS 2759-55-9)
- 2-Iodothieno[2,3-c]pyridine (CAS 1823914-47-1)
- 2-[(2,6-dimethylpiperidin-1-yl)carbonyl]-4,5-dimethoxyaniline (CAS 953892-79-0)
- (1-Methyl-5-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)methanamine hydrochloride (CAS 1281872-57-8)
- 2-(2-Benzylphenoxy)propanoic acid (CAS 926230-71-9)
- Semaglutide impurity 235 (CAS CATO-C4X-2226235)
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