2-(3-(3-Fluorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl)acetonitrile CAS 872590-63-1
| CAS No. | 872590-63-1 |
| Molecular Formula | C12H7FN6O |
| Molecular Weight | 270.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-(3-(3-Fluorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl)acetonitrile is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-(3-(3-Fluorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl)acetonitrile (CAS 872590-63-1) is a high-purity analytical reference standard with the molecular formula C12H7FN6O and a molecular weight of 270.22 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 2-(3-(3-Fluorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl)acetonitrile is typically pale yellow to yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 270.22 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 2-(3-(3-Fluorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl)acetonitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C12H7FN6O |
| Molecular Weight | 270.22 g/mol |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 6 |
Related Fluorophenyl Standards
- 2-{[(4-fluorophenyl)carbamoyl]amino}butanedioic acid (CAS 1396969-13-3)
- 5-(4-Fluorophenyl)-1,1-dioxo-2h-1lambda6,2,6-thiadiazine-3-carboxylic acid (CAS 1011397-61-7)
- N4-(2-Fluorophenyl)-N2-(2-hydroxyethyl)-L-asparagine (CAS 1098630-72-8)
- 3-(4-Fluorophenyl)-2-(4-nitrophenyl)propanenitrile (CAS 1254177-52-0)
- 2-(4-Fluorophenyl)-3-methyl-2,7-naphthyridine-1,8(2H,7H)-dione (CAS 1426957-22-3)
- 4'-(4-Fluorophenyl)-1'H-[1,3'-bipyrrole]-2'-carboxylic acid (CAS 1707735-14-5)
- 4'-(2-Fluorophenyl)-1'H-[1,3'-bipyrrole]-2'-carboxylic acid (CAS 1708013-26-6)
- (E)-4-(3-(4-Fluorophenyl)-3-oxoprop-1-en-1-yl)benzoic acid (CAS 1845711-20-7)
Recommended Standards
- 1,1,2,2,4,5,5-Heptafluoro-3-oxapent-4-enyl(trimethyl)silane (CAS 2149590-60-1)
- 2-(Benzyloxy)-1-fluoro-3-(trifluoromethyl)benzene (CAS 2379322-79-7)
- (2S,3S,4R,5R)-2-(Fluoromethyl)-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-3,4-diol (CAS 81944-79-8)
- 2-(Benzyloxy)-1-fluoro-4-(trifluoromethyl)benzene (CAS 847148-74-7)
- Organic Acid Salt Standard - Chromate (CAS 11104-59-9)
- 3-Amino-2-(pyridin-3-ylmethyl)propanoic acid dihydrochloride (CAS 1306604-21-6)
- 2,5-Dimethyl-4-morpholinomethyl benzophenone (CAS 898770-08-6)
- Cyclopropyl(4-(trifluoromethyl)phenyl)methanamine (CAS 581812-93-3)
- 4,6-Dibromo-2-(4-fluorophenyl)benzo[d]oxazol-5-amine (CAS 637302-88-6)
- 1-(Nitro(phenylsulfonyl)methyl)-1,2,3,4-tetrahydroisoquinoline (CAS 338421-01-5)
- 2-(Chloromethyl)-3-fluorobenzonitrile (CAS 1260814-51-4)
- 1-Methyl-4-(5-methyl-4-(3-(trifluoromethyl)benzyl)-4H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine (CAS 955976-92-8)
- (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(octyloxy)tetrahydro-2H-pyran-2-carboxylic acid (CAS 208400-78-6)
- Semaglutide impurity 227 (CAS CATO-C4X-2226227)
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