2-(2-Chloroacetyl)-1,2,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3(5H)-one CAS 108735-50-8
| CAS No. | 108735-50-8 |
| Molecular Formula | C7H9ClN4O2 |
| Molecular Weight | 216.62 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-(2-Chloroacetyl)-1,2,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3(5H)-one (CAS 108735-50-8), molecular formula C7H9ClN4O2 and molecular weight 216.62 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system, 2-(2-Chloroacetyl)-1,2,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3(5H)-one is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 216.62 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 2-(2-Chloroacetyl)-1,2,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3(5H)-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C7H9ClN4O2 |
| Molecular Weight | 216.62 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| 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.) | 1988 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
Related Chloroacetyl Standards
- 3-(2-Chloroacetyl)-1-[(furan-2-yl)methyl]urea (CAS 733015-01-5)
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- 2-(chloroacetyl)decahydroisoquinoline (CAS 871217-50-4)
- 3-(4-(2-Chloroacetyl)piperazin-1-yl)propanenitrile (CAS 713522-46-4)
- Methyl 4-(2-Chloroacetyl)-5-methyl-1H-pyrrole-2-carboxylate (CAS 203208-33-7)
- N-(2-CHLOROACETYL)-4-FLUOROBENZAMIDE (CAS 897027-67-7)
- 2-[5-(2-chloroacetyl)thiophen-2-yl]acetamide (CAS 853724-01-3)
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Recommended Standards
- Ethyl 6-chloro-3-hydrazinylpyridazine-4-carboxylate (CAS 1073488-86-4)
- Ethyl 3-(chlorocarbonyl)-1-methyl-1H-pyrazole-5-carboxylate (CAS 1170954-70-7)
- 2-Chloro-5-nitro-4-thiocyanatopyrimidine (CAS 98027-74-8)
- 2-(4-Chloro-2-nitrophenoxy)ethan-1-amine (CAS 1183594-44-6)
- N,N,N-Trimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenaminium iodide (CAS 1218791-40-2)
- Ethyl aminon-(4-isopropyl-1H-pyrazol-5-yl)methanethiocarbamate (CAS 1817006-65-7)
- 2-((Benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one (CAS 730986-10-4)
- Phenyl N-(methylsulfonyl)-N-phenylcarbamate (CAS 886362-26-1)
- 1-((5-Bromothiophen-2-yl)sulfonyl)pyrrolidin-2-one (CAS 924827-68-9)
- (4-aminooxepan-4-yl)methanol hydrochloride (CAS 1864013-93-3)
- 2-(3,5-dioxohexyl)-2,3-dihydro-1H-isoindole-1,3-dione (CAS 1423034-65-4)
- 5-Chloro-3-methyl-2-nitrobenzaldehyde (CAS 1807173-70-1)
- 5-(Trichloromethyl)-4,5-dihydroisoxazol-5-ol (CAS 34648-11-8)
- Tetrapeptide-3 (CAS 827306-97-8)
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