4-Methoxyphenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate CAS 879958-04-0
| CAS No. | 879958-04-0 |
| Molecular Formula | C13H11ClN2O3S |
| Molecular Weight | 310.76 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 310.76 g/mol gives 4-Methoxyphenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-Methoxyphenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate (CAS 879958-04-0), molecular formula C13H11ClN2O3S and molecular weight 310.76 g/mol, is a CATO reference standard with documented purity and traceability.
4-Methoxyphenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate (C13H11ClN2O3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
As a certified reference material (CRM), 4-Methoxyphenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate 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 | C13H11ClN2O3S |
| Molecular Weight | 310.76 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Methoxyphenyl Standards
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- 1-(4-(2-Methoxyphenyl)piperazin-1-yl)-2-phenylethanone (CAS 349093-44-3)
- 2-(4-(4-Methoxyphenyl)piperazin-1-yl)-1-phenylethan-1-one (CAS 338396-68-2)
- (2E)-2-{[(4-methoxyphenyl)amino]methylidene}-3-oxo-N-phenylbutanamide (CAS 1025564-26-4)
- (3-Methoxyphenyl)(5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl)methanamine (CAS 1707585-84-9)
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Recommended Standards
- 4-Chloro-N-(3-sulfamoylphenyl)benzamide (CAS 303019-71-8)
- Methyl 2-(3-(3-chlorophenyl)ureido)thiophene-3-carboxylate (CAS 338777-31-4)
- 4-(4-Chlorophenyl)sulfonylbenzohydrazide (CAS 20721-08-8)
- N'-(2-(4-chlorophenoxy)acetyl)thiophene-2-carbohydrazide (CAS 332157-66-1)
- Methyl 2-amino-5-benzyl-5,6-dihydro-4h-thieno[2,3-c]pyrrole-3-carboxylate (CAS 1428234-04-1)
- N4-Cyclohexylpyrimidine-4,5-diamine (CAS 1044767-86-3)
- 3-(Difluoromethoxy)-4-fluorobenzotrifluoride (CAS 957146-67-7)
- 3-(4-(Trifluoromethyl)phenyl)piperazin-2-one (CAS 185110-29-6)
- 2-Hydroxy-1,2-bis(4-isopropylphenyl)ethan-1-one (CAS 5623-24-5)
- 4-[(Butylamino)methyl]-n,n-diethylaniline dihydrochloride (CAS 16183-29-2)
- N-((5-chlorothiophen-2-yl)methyl)-1-methylpiperidin-4-amine (CAS 1096809-17-4)
- 5-(3-Cyanophenyl)picolinic acid (CAS 1261944-75-5)
- N-((1-methyl-1H-pyrrol-2-yl)methyl)-2-phenylethan-1-amine (CAS 713501-63-4)
- Semaglutide impurity 206 (CAS CATO-C4X-2226206)
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