2-(3-(((4-Chloro-5-cyano-6-(thiophen-2-yl)pyrimidin-2-yl)thio)methyl)phenyl)acetic acid CAS 2428519-99-5
| CAS No. | 2428519-99-5 |
| Molecular Formula | C18H12ClN3O2S2 |
| Molecular Weight | 401.89 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies 2-(3-(((4-Chloro-5-cyano-6-(thiophen-2-yl)pyrimidin-2-yl)thio)methyl)phenyl)acetic acid (CAS 2428519-99-5), a certified reference material (molecular formula C18H12ClN3O2S2, MW 401.89 g/mol) for analytical method development and quality control.
2-(3-(((4-Chloro-5-cyano-6-(thiophen-2-yl)pyrimidin-2-yl)thio)methyl)phenyl)acetic acid (C18H12ClN3O2S2) contains a steroid 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), 2-(3-(((4-Chloro-5-cyano-6-(thiophen-2-yl)pyrimidin-2-yl)thio)methyl)phenyl)acetic acid 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 | C18H12ClN3O2S2 |
| Molecular Weight | 401.89 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.) | 2000 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Chloro Standards
- (2E)-3-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide (CAS 477870-70-5)
- (2E)-3-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-N-cycloheptylprop-2-enamide (CAS 477870-71-6)
- 4-(2-Chloro-4-methoxyphenyl)-2-morpholino-5-(4H-1,2,4-triazol-3-yl)thiophene-3-carbonitrile (CAS 1202041-57-3)
- 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-[(E)-2-(phenylamino)ethenyl]-1,2-thiazole-4-carbonitrile (CAS 338778-75-9)
- N-(2-Chloro-4,6-dimethylphenyl)-2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 578001-91-9)
- N-(2-Chloro-4,6-dimethylphenyl)-2-((4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 573931-96-1)
- N-(2-Chloro-4,6-dimethylphenyl)-2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 587011-30-1)
- N-(5-Chloro-2-methoxyphenyl)-2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamide (CAS 851131-72-1)
Recommended Standards
- 2-((5-(3-(1H-pyrrol-1-yl)thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-chlorophenyl)ethan-1-one (CAS 478077-35-9)
- 2-(4-(Benzyloxy)-2-chlorobenzoyl)-N-cyclohexylhydrazine-1-carboxamide (CAS 478039-95-1)
- Bemetizide (CAS 1824-52-8)
- 2-Acetamido-N1-(4-chlorobenzyl)-N3-(4-isopropylphenyl)malonamide (CAS 866039-24-9)
- 2-((5-Methyl-2-phenyl-1H-indol-3-yl)thio)acetic acid (CAS 62663-18-7)
- 4-(4-Bromo-3-nitro-phenyl)-thiazol-2-ylamine (CAS 675602-97-8)
- 5,5,5-Trifluoropentanoyl chloride (CAS 1186202-35-6)
- L-Isoleucine (CAS 73-32-5)
- trans-3-acetyl-2,2-dimethylcyclopropane-1-carbonitrile (CAS 63896-33-3)
- Dimethyl 5-methyl-1-(4-methylbenzyl)-1H-pyrrole-2,4-dicarboxylate (CAS 866144-80-1)
- 2-((4-Chlorophenyl)amino)-1-phenylethan-1-one (CAS 53181-22-9)
- 3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine hydrochloride (CAS 919100-23-5)
- Methyl 2-(chlorosulfonyl)-6-methylbenzoate (CAS 139665-75-1)
- Semaglutide impurity 98 (CAS CATO-C4X-222698)
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