3-(4-Chlorophenyl)-6-(2-oxopropyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one CAS 872590-83-5
| CAS No. | 872590-83-5 |
| Molecular Formula | C13H10ClN5O2 |
| Molecular Weight | 303.70 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-(4-Chlorophenyl)-6-(2-oxopropyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one (CAS 872590-83-5), molecular formula C13H10ClN5O2 and molecular weight 303.70 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, 3-(4-Chlorophenyl)-6-(2-oxopropyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 303.70 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H10ClN5O2 |
| Molecular Weight | 303.70 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
Related Chlorophenyl Standards
- 4-(2-Chlorophenyl)-5,7-dihydro-2-methyl-5-oxo-furo[3,4-b]pyridine-3-carboxylicacid (CAS 113994-39-1)
- N-(5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide (CAS 1170951-37-7)
- 1-[[5-(4-Chlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione (CAS 14663-26-4)
- 2-((1-(4-Chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)acetic acid (CAS 89454-07-9)
- N-(3-Chlorophenyl)-3,5-difluorobenzenesulfonamide (CAS 1089622-73-0)
- 6-(4-Chlorophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole (CAS 153073-99-5)
- (4Z)-4-{[(4-chlorophenyl)amino]methylidene}-1-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one (CAS 320425-07-8)
- 1-(4-Chlorophenyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 98534-25-9)
Recommended Standards
- 2-Amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid (CAS 6266-05-3)
- 6-Chloro-N-(furan-2-ylmethyl)-2-oxo-2H-chromene-3-carboxamide (CAS 388609-31-2)
- Benzyl 2-amino-6-chloro-9H-purine-9-carboxylate (CAS 851635-15-9)
- tert-Butyl (4-chloro-3-methoxy-5-nitropyridin-2-yl)carbamate (CAS 1956340-32-1)
- tert-Butyl 6-oxo-2-azaspiro[4.4]nonane-2-carboxylate (CAS 1319716-43-2)
- (dppf)Ni(<I>o</I>-tolyl)Cl (CAS 1501945-23-8)
- (<I>S</I>)-1-Boc-3-pyrrolidinecarboxylic acid (CAS 140148-70-5)
- 6-Bromo-7-fluoroquinoline (CAS 127827-52-5)
- (S)-Methyl 2-amino-3-(2,4-dimethylphenyl)propanoate hydrochloride (CAS 1391571-15-5)
- Th Standard Solution (CAS 7440-29-1)
- 2-Chloro-4-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (CAS 1707727-96-5)
- 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CAS 24391-41-1)
- 2-Bromo-1,4-dimethyl-1H-imidazole-5-carboxylic acid (CAS 1782559-23-2)
- Peptide-GMF (CAS CATO-CPTD788469)
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