7-(Chloromethyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS 854035-94-2
| CAS No. | 854035-94-2 |
| Molecular Formula | C7H6ClN3OS |
| Molecular Weight | 215.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
7-(Chloromethyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CAS 854035-94-2) is a high-purity analytical reference standard with the molecular formula C7H6ClN3OS and a molecular weight of 215.66 g/mol.
Owing to an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system, 7-(Chloromethyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 215.66 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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), 7-(Chloromethyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one 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 | C7H6ClN3OS |
| Molecular Weight | 215.66 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, 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 |
| Degree of Unsaturation (DBE) | 6.0 |
| 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 Chloromethyl Standards
- 3-(chloromethyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole (CAS 1152504-93-2)
- 2-(Chloromethyl)-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CAS 81516-46-3)
- 3-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyridine (CAS 917396-29-3)
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Recommended Standards
- 5-Cyano-2-methyl-benzenesulfonylchloride (CAS 372198-49-7)
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- 4-cyano-3-methylbenzene-1-sulfonyl chloride (CAS 942199-57-7)
- Methyl 3-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylate (CAS 403860-07-1)
- 1-(2-Methyl-3-nitrophenyl)-1H-pyrrole-2-carbaldehyde (CAS 383136-10-5)
- 2-Chloro-5-((4-(trifluoromethyl)pyrimidin-2-yl)amino)benzoic acid (CAS 1456213-79-8)
- 5'-Hydroxyphenyl carvedilol sulfate ammonium salt (CAS 142227-53-0)
- 2-(4-Chlorophenyl)-1,3-diazaspiro[4.4]non-1-en-4-one (CAS 904816-22-4)
- N-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazole-4-carboxamide hydrochloride (CAS 1707710-34-6)
- 2-(2-Bromoethoxy)-1-chloro-4-methylbenzene (CAS 910032-21-2)
- 2-(3-Chlorophenyl)-3-methyloxirane (CAS 954262-36-3)
- N,N-Diethyl-3-[5-mercapto-4-(2-methoxy-1-methyl-ethyl)-4H-[1,2,4]triazol-3-yl]-benzenesulfonamide (CAS 748776-69-4)
- n-((1,2,3-Thiadiazol-4-yl)methyl)-4-fluoro-2-methylaniline (CAS 1157056-30-8)
- Peptide 441 (CAS CATO-CPTD788441)
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