6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-chloro-3-nitrobenzoate CAS 877636-58-3
| CAS No. | 877636-58-3 |
| Molecular Formula | C18H12ClN3O6S |
| Molecular Weight | 433.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 433.82 g/mol gives 6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-chloro-3-nitrobenzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-chloro-3-nitrobenzoate (CAS 877636-58-3), molecular formula C18H12ClN3O6S and molecular weight 433.82 g/mol, is a CATO reference standard with documented purity and traceability.
6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-chloro-3-nitrobenzoate (C18H12ClN3O6S) contains a flavonoid core, 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), 6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-chloro-3-nitrobenzoate 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 | C18H12ClN3O6S |
| Molecular Weight | 433.82 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Methylpyrimidin Standards
- N-(4-methylpyrimidin-2-yl)-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzenesulfonamide (CAS 1024333-97-8)
- 7-(((4-Methylpyrimidin-2-yl)amino)(4-(trifluoromethyl)phenyl)methyl)quinolin-8-ol (CAS 1351140-16-3)
- 6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-fluorobenzoate (CAS 877636-14-1)
- 6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3-methylbenzoate (CAS 877635-29-5)
- 3-(4-(5-Methylpyrimidin-4-yl)piperazine-1-carbonyl)-2H-chromen-2-one (CAS 1448054-88-3)
- 6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate (CAS 877637-85-9)
- 2-((4-Methylpyrimidin-2-yl)thio)-N-(4-phenylthiazol-2-yl)acetamide (CAS 483977-96-4)
- 2-(2-((5-Acetyl-4-methylpyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione (CAS 383147-99-7)
Recommended Standards
- N-(3-Chloro-4-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidin-2-yl]acetamide (CAS 1775345-25-9)
- 2-((4-Chlorobenzyl)thio)-5-((2,6-dichlorobenzyl)thio)-1,3,4-thiadiazole (CAS 476484-58-9)
- Haloxyfop-2-ethoxyethyl (CAS 87237-48-7)
- 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)-4-(thiophen-2-yl)pyrimidine (CAS 477862-43-4)
- 5-(2-Fluorophenoxy)pyrazine-2-carboxylic acid (CAS 1199215-96-7)
- tert-Butyl 5'-amino-[2,3'-bithiophene]-4'-carboxylate (CAS 1550671-45-8)
- 6-Methoxy-1,2,3,4-tetrahydroisoquinolin-5-ol hydrochloride (CAS 1628638-77-6)
- 1-(6-Bromopyridin-3-yl)-2,2-dimethylpropan-1-ol (CAS 139042-61-8)
- (4-Methoxyphenyl)(pyridin-4-yl)methanamine (CAS 889939-88-2)
- 2(3H)-benzoxazolone, 6-amino-3-(1-methylethyl)- (CAS 590420-85-2)
- 7-Iodo-3,4-dihydro-2H-benzo[b][1,4]oxazine (CAS 1388047-21-9)
- 3-Chloro-N-(propan-2-yl)pyrazin-2-amine (CAS 53265-32-0)
- 5-Nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione (CAS 652-43-7)
- Thymopoietin II Peptide Fragment (CAS 56795-64-3)
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