3-(4-Chlorophenyl)-6-(2-fluorobenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one CAS 893914-27-7
| CAS No. | 893914-27-7 |
| Molecular Formula | C17H11ClFN5O |
| Molecular Weight | 355.75 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-(4-Chlorophenyl)-6-(2-fluorobenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3-(4-Chlorophenyl)-6-(2-fluorobenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one (CAS 893914-27-7), a certified reference material (molecular formula C17H11ClFN5O, MW 355.75 g/mol) for analytical method development and quality control.
Based on its molecular formula C17H11ClFN5O, 3-(4-Chlorophenyl)-6-(2-fluorobenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 355.75 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
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 | C17H11ClFN5O |
| Molecular Weight | 355.75 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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/Cl-containing |
| Nitrogen Atoms | 5 |
Related Chlorophenyl Standards
- 3-(((4-Chlorophenyl)sulfonyl)methyl)-4-nitrobenzoic acid (CAS 339276-54-9)
- 3-((4-Chlorophenyl)sulfonyl)-6,7-difluoroquinolin-4(1H)-one (CAS 1325307-29-6)
- 5-(2-Chlorophenyl)-4-(3-(trifluoromethyl)phenyl)-4h-1,2,4-triazole-3-thiol (CAS 722465-47-6)
- 5-(3-Chlorophenyl)-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol (CAS 721916-34-3)
- 1-(4-Chlorophenyl)-N-(2-methoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide (CAS 478063-26-2)
- 2-(4-Chlorophenyl)-5-(pentafluoro-λ6-sulfanyl)benzo[d]oxazole (CAS 1379812-09-5)
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Recommended Standards
- 3-(2-Chloro-6-fluorophenyl)-N-(2-cyanophenyl)-5-methylisoxazole-4-carboxamide (CAS 925036-67-5)
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- 3-[(6-Chlorothiazolo[5,4-β]pyridin-2-yl)methoxy]-2,6-difluorobenzamide (CAS 951120-33-5)
- 2-Methoxy-5-(4-nitrobenzoyl)benzene-1-sulfonyl chloride (CAS 820245-86-1)
- (E)-(2,3-Diphenylallyl)triphenylphosphonium bromide (CAS 38633-42-0)
- Tert-butyl 4-(bromomethyl)-3,5-difluorobenzoate (CAS 1363405-79-1)
- (S)-3-Chloro-6-(pyrrolidin-3-yloxy)pyridazine hydrochloride (CAS 1314353-43-9)
- 2′-Deoxy-2′-fluoro-5′-guanylic acid (CAS 170784-58-4)
- 4-((4-Chlorophenyl)thio)-3-nitro-N-phenylbenzamide (CAS 303988-25-2)
- 2-Bromo-4-chloro-6-(trifluoromethyl)pyridine (CAS 1211537-26-6)
- Thallium hydrotris(indazol-2-yl)borate (CAS 162978-03-2)
- 1-(2-(Trifluoromethyl)benzyl)piperidine-3-carboxylic acid (CAS 896045-89-9)
- N-(2-(dimethylamino)-2-oxoethyl)-2,2,2-trifluoroacetamide (CAS 63066-16-0)
- C-Peptide（dog） (CAS 39016-05-2)
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