5-Chloro-3-(m-tolyl)-1H-1,2,4-triazole CAS 59301-30-3
| CAS No. | 59301-30-3 |
| Molecular Formula | C9H8ClN3 |
| Molecular Weight | 193.63 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-Chloro-3-(m-tolyl)-1H-1,2,4-triazole (CAS 59301-30-3) is a high-purity analytical reference standard with the molecular formula C9H8ClN3 and a molecular weight of 193.63 g/mol.
The molecular framework of 5-Chloro-3-(m-tolyl)-1H-1,2,4-triazole (C9H8ClN3) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C9H8ClN3 |
| Molecular Weight | 193.63 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1973 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
- 5-Chloro-2-methylquinolin-8-ol (CAS 24263-93-2)
- 5-Chloro-3-(p-tolyl)-1H-1,2,4-triazole (CAS 59301-31-4)
- 5-Chloro-2-methyl-1H-indole-3-carbaldehyde (CAS 57335-86-1)
- 5-Chloro-3-methyl-1H-indole-2-carbaldehyde (CAS 40731-16-6)
- 2-(Pyrrolidin-1-yl)-2-(p-tolyl)acetic acid (CAS 490026-99-8)
- 6-Bromo-4-chloronicotinonitrile (CAS 1256790-67-6)
- 1-(4-(Pyridin-4-yl)thiazol-2-yl)ethan-1-amine (CAS 1247236-82-3)
- n-Nonanoic acid 4-(5-n-decyl-pyrimidin-2-yl)phenyl ester (CAS 129470-93-5)
- 4-(2,4-Difluorobenzyl)-4,5-dihydrobenzo[f][1,4]oxazepin-3(2H)-one (CAS 1359553-91-5)
- 3-Chloro-8-fluoroquinoline-6-carboxylic acid (CAS 2721375-39-7)
- 5-Amino-1-(2,2,2-trifluoroethyl)pyridin-2(1h)-one (CAS 1179038-34-6)
- Deuteroporphyrin IX 2,4-disulfonic acid dihydrochloride (CAS 623946-74-7)
- 3,5-Dimethyl-4-isoxazolecarbaldehyde (CAS 54593-26-9)
- Tau Peptide (401-411)-Lys-Lys trifluoroacetate salt (CAS 2022956-59-6)
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