6-chloro-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile CAS 1803604-63-8
| CAS No. | 1803604-63-8 |
| Molecular Formula | C6H4ClN3O2 |
| Molecular Weight | 185.57 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 185.57 g/mol gives 6-chloro-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
6-chloro-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 1803604-63-8), molecular formula C6H4ClN3O2 and molecular weight 185.57 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C6H4ClN3O2, 6-chloro-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 185.57 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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), 6-chloro-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile 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 | C6H4ClN3O2 |
| Molecular Weight | 185.57 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
- 2-Amino-6-chloro-7H-purin-8(9H)-one (CAS 98136-62-0)
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- 3-Chloropyrazolo[1,5-a]pyrimidine-5,7(4H,6H)-dione (CAS 57489-73-3)
- 5-(chloromethyl)-3-(1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazole (CAS 953751-07-0)
- 4-Mercaptopicolinic acid (CAS 18103-74-7)
- 2-(Trifluoromethyl)benzo[b]thiophene (CAS 109272-30-2)
- ethyl 3-(propan-2-yl)-1H-pyrazole-4-carboxylate (CAS 342026-17-9)
- 4-Bromo-2-fluoro-2-thiomorpholinomethyl benzophenone (CAS 898782-14-4)
- Acetone N-methylhydrazone (CAS 5771-02-8)
- 2-Chloro-9-phenyl-1,10-phenanthroline (CAS 1937210-90-6)
- 2-(tert-Butoxy)-6-chloropyridine (CAS 547740-43-2)
- 7-Bromo-3-(2-hydroxyethyl)cinnolin-4-ol (CAS 693774-99-1)
- Ethyl 5-((ethylsulfonyl)methyl)-4,5-dihydroisoxazole-3-carboxylate (CAS 1707403-05-1)
- Semaglutide impurity 58 (CAS CATO-C4X-222658)
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