5-Chloro-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine CAS 116605-55-1
| CAS No. | 116605-55-1 |
| Molecular Formula | C6H5ClN4 |
| Molecular Weight | 168.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 168.58 g/mol gives 5-Chloro-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-Chloro-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine (CAS 116605-55-1) is a high-purity analytical reference standard with the molecular formula C6H5ClN4 and a molecular weight of 168.58 g/mol.
5-Chloro-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine (C6H5ClN4) contains a nitrile group, chlorine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C6H5ClN4 |
| Molecular Weight | 168.58 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 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.) | 1990 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
Related Chloro Standards
- 6-Chloro-1H-pyrrolo[3,2-c]pyridin-2(3H)-one (CAS 1000342-80-2)
- 4-Chloro-2-methoxypyridine-3-carbonitrile (CAS 1008451-56-6)
- 6-Chloro-2-methyl-9H-purine (CAS 100859-35-6)
- 3-chloro-6-methyl-[1,2,4]triazolo[4,3-a]pyrimidine (CAS 1019033-24-9)
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Recommended Standards
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- 5-Chloro-1H-indazol-6-ol (CAS 116570-38-8)
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- Rutin hydrate (CAS 207671-50-9)
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- Heptachlor (CAS 74867-73-5)
- 3-(5-Chloro-1-benzofuran-2-yl)propanoic acid (CAS 57329-63-2)
- 4-Benzyl-5-methylmorpholin-3-one (CAS 1823969-87-4)
- Betacarotene impurity 7 (CAS CATO-C4X-28157)
- 4-Bromo-5-(difluoromethyl)-3-methylpicolinoyl chloride (CAS 1806995-62-9)
- 5-Methyl-4-phenylthiazole-2-carbaldehyde (CAS 159670-56-1)
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