4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic Acid CAS 313339-35-4
| CAS No. | 313339-35-4 |
| Molecular Formula | C6H4Cl2N2O2S |
| Molecular Weight | 239.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic Acid is closely related to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic Acid (CAS 313339-35-4), molecular formula C6H4Cl2N2O2S and molecular weight 239.08 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic Acid (C6H4Cl2N2O2S) is characterized by an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. 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. 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 | C6H4Cl2N2O2S |
| Molecular Weight | 239.08 g/mol |
| 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Dichloro Standards
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- (R)-2-Amino-3-(2,4-difluorophenyl)propanoic acid (CAS 266360-60-5)
- Sodium N-(3-(3-((bis(carboxymethyl)amino)methyl)-2,2-dioxido-3H-benzo[d][1,2]oxathiol-3-yl)-6-hydroxy-2,5-dimethylbenzyl)-N-(carboxymethyl)glycinate hydrate (CAS 29412-85-9)
- 1-(Oxazol-2-yl)ethan-1-amine (CAS 1083396-36-4)
- 3,5-Pyridinedicarbonyl dichloride, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)- (CAS 97898-34-5)
- Rosuvastatin Impurity 69 (CAS 1821422-51-8)
- 3-[(2-Methylbenzyl)oxy]pyrrolidine hydrochloride (CAS 1185297-72-6)
- 7-xylosyltaxol (CAS 90332-66-4)
- (Ser(PO?H?)2?2)-Tau Peptide (260-264) PAb Blocking trifluoroacetate salt (CAS 2022956-57-4)
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