1-(2-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile CAS 7153-61-9
| CAS No. | 7153-61-9 |
| Molecular Formula | C12H8ClN3O2 |
| Molecular Weight | 261.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1-(2-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile.
1-(2-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 7153-61-9) is a high-purity analytical reference standard with the molecular formula C12H8ClN3O2 and a molecular weight of 261.66 g/mol.
The molecular framework of 1-(2-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (C12H8ClN3O2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
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 | C12H8ClN3O2 |
| Molecular Weight | 261.66 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, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1959 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Chlorobenzyl Standards
- 1-(4-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 338399-17-0)
- 3-(4-Chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol (CAS 132269-53-5)
- 2-((4-Chlorobenzyl)oxy)-6-fluorobenzonitrile (CAS 175204-10-1)
- 2-((4-Chlorobenzyl)amino)benzoic acid (CAS 14345-04-1)
- 2-[(2-Chlorobenzyl)amino]benzoic acid (CAS 5363-30-4)
- 2-[(4-Chlorobenzyl)oxy]benzamide (CAS 29579-12-2)
- 3-((4-Chlorobenzyl)amino)benzoic acid (CAS 63759-85-3)
- 4-[(4-Chlorobenzyl)amino]benzoic acid (CAS 63759-94-4)
Recommended Standards
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- (3-Chloro-4-nitrophenyl)(phenyl)methanone (CAS 7501-56-6)
- Ethyl 2-amino-4-bromo-3-methylbenzoate (CAS 1343240-01-6)
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- 3-(ETHYLTHIO)-4H-1,2,4-TRIAZOLE 15182-35-1 (CAS 15182-35-1)
- 3-Ethoxy-2-methylpropanoic acid (CAS 19758-27-1)
- tert-Butyl 3-((3-methylpyrazin-2-yl)amino)pyrrolidine-1-carboxylate (CAS 1353946-15-2)
- (5-Bromobenzo[b]thiophen-2-yl)methanamine (CAS 165737-02-0)
- Tirzepatide Impurity 50 (CAS CATO-C4X-324050)
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