5-Chloro-1-isopropyl-1H-1,2,4-triazol-3(2H)-one CAS 42509-62-6
| CAS No. | 42509-62-6 |
| Molecular Formula | C5H8ClN3O |
| Molecular Weight | 161.59 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-Chloro-1-isopropyl-1H-1,2,4-triazol-3(2H)-one (CAS 42509-62-6), molecular formula C5H8ClN3O and molecular weight 161.59 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C5H8ClN3O, 5-Chloro-1-isopropyl-1H-1,2,4-triazol-3(2H)-one contains an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 161.59 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
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 | C5H8ClN3O |
| Molecular Weight | 161.59 g/mol |
| Appearance | 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1969 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Chloro Standards
- 2-(5-Chloro-3-methylisoxazol-4-yl)ethanol (CAS 103245-33-6)
- 3-Chloro-5-ethynylbenzonitrile (CAS 1198354-07-2)
- 3-Chloro-1-ethyl-5-methoxy-1H-1,2,4-triazole (CAS 1330756-30-3)
- 5-Chloro-1-(methoxymethyl)-3-methyl-1H-1,2,4-triazole (CAS 1630763-77-7)
- 3-Chloro-1-(ethoxymethyl)-1H-1,2,4-triazole (CAS 1807977-28-1)
- 2-((4-Chloro-1H-imidazol-5-yl)amino)ethanol (CAS 799815-11-5)
- 3-Chloro-4-ethynylbenzonitrile (CAS 914105-98-9)
- 4-Chloro-3-ethynylbenzonitrile (CAS 914106-00-6)
Recommended Standards
- 5-(Chloromethyl)-3-(methoxymethyl)isoxazole (CAS 71495-01-7)
- Irinotecan Impurity 7 (CAS 206182-51-6)
- 5-(3-Chloropropyl)isoxazol-3(2H)-one (CAS 823797-36-0)
- Gimeracil Impurity 1 (CAS CATO-C4X-12141)
- 3-(Furan-2-yl)pyrazine-2-carbaldehyde (CAS 1823498-75-4)
- 3-(Dimethylamino)cyclohexan-1-one (CAS 15676-74-1)
- 3-{2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl}propan-1-amine (CAS 1556363-75-7)
- Ethyl 1-acetyl-4-methyl-5-phenyl-1H-pyrrole-3-carboxylate (CAS 222403-54-5)
- 5,6-Dimethylbenzofuran-2(3H)-one (CAS 742080-00-8)
- 2-Hydroxy-5-(pyrrolidin-1-ylsulfonyl)benzoic acid (CAS 326024-05-9)
- 4,4,4-trifluorobut-2-enal (CAS 406-88-2)
- (2Z)-2-[(2,5-dichlorophenyl)imino]-1,3-thiazolidin-4-one (CAS 101869-79-8)
- 5-Chloro-4-fluoro-2-hydroxybenzaldehyde (CAS 264879-16-5)
- [Tyr15] Fibrinopeptide B, human (CAS 125455-56-3)
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