5-Chloro-6-(difluoromethyl)pyrimidine-2,4(1H,3H)-dione CAS 1706464-41-6
| CAS No. | 1706464-41-6 |
| Molecular Formula | C5H3ClF2N2O2 |
| Molecular Weight | 196.54 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 5-Chloro-6-(difluoromethyl)pyrimidine-2,4(1H,3H)-dione.
5-Chloro-6-(difluoromethyl)pyrimidine-2,4(1H,3H)-dione (CAS 1706464-41-6), molecular formula C5H3ClF2N2O2 and molecular weight 196.54 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C5H3ClF2N2O2, 5-Chloro-6-(difluoromethyl)pyrimidine-2,4(1H,3H)-dione contains an amide group, a carboxylic acid 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 196.54 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C5H3ClF2N2O2 |
| Molecular Weight | 196.54 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Chloro Standards
- 4-Chloro-1-(difluoromethyl)-1H-pyrazole-3-carboxylic acid (CAS 1310350-99-2)
- Sodium 3-chloro-4-fluorobenzoate (CAS 1421761-18-3)
- (3-Chloro-2,4,5-trifluorophenyl)methanol (CAS 101513-79-5)
- 3-Chloro-2-(trifluoromethyl)phenol (CAS 106877-34-3)
- 5-Chloro-2-(trifluoromethyl)phenol (CAS 106877-35-4)
- 2-Chloro-6-(trifluoromethyl)phenol (CAS 106877-36-5)
- 2-Chloro-1-(difluoromethoxy)-4-fluoro-benzene (CAS 106969-09-9)
- 1-Chloro-2-(difluoromethoxy)-3-fluorobenzene (CAS 1136961-91-5)
Recommended Standards
- n-Dodecane-d26 (CAS 16416-30-1)
- Sevoflurane Impurity 12 (CAS 206756-25-4)
- 3,4,5-Trichloroaniline (CAS 634-91-3)
- 2,4,6-Trichloroaniline (CAS 634-93-5)
- 1-Butyl-5-(chloromethyl)-2-methanesulfonyl-1h-imidazole (CAS 1221341-13-4)
- 3-(1H-Imidazol-1-yl)-2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine (CAS 1823183-13-6)
- 2-(Difluoromethyl)-4-fluoro-3-iodopyridine-5-carboxaldehyde (CAS 1805050-63-8)
- tert-Butyl 1,7-diazaspiro[4.6]undecane-1-carboxylate (CAS 960616-51-7)
- 1-(4-Chloro-2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 926206-35-1)
- 2-[(2-ethoxypyridin-3-yl)oxy]ethan-1-ol (CAS 313657-94-2)
- 1-(2-Chlorophenyl)-3-(phenylthio)pyrrolidine-2,5-dione (CAS 128535-08-0)
- 2,7-Bis(2-(diethylamino)ethoxy)anthracene-9,10-dione (CAS 88476-75-9)
- 2-(2-Phenylacetamido)benzoic acid (CAS 28565-98-2)
- Tirzepatide Impurity 35 (CAS CATO-C4X-324035)
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