4-Chloro-1-methyl-1H-1,2,3-triazole CAS 856861-55-7
| CAS No. | 856861-55-7 |
| Molecular Formula | C3H4ClN3 |
| Molecular Weight | 117.54 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-Chloro-1-methyl-1H-1,2,3-triazole (CAS 856861-55-7), molecular formula C3H4ClN3 and molecular weight 117.54 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C3H4ClN3, 4-Chloro-1-methyl-1H-1,2,3-triazole contains a nitrile group, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 117.54 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 | C3H4ClN3 |
| Molecular Weight | 117.54 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Chloro Standards
- 3-Chloro-1H-pyrazol-4-amine (CAS 103286-54-0)
- 4-Chloro-2-methyl-2H-1,2,3-triazole (CAS 109299-74-3)
- 3-Chloro-5-methyl-1H-1,2,4-triazole (CAS 15285-15-1)
- 2-Chloro-N-cyanoacetimidamide (CAS 53737-87-4)
- 3-Chloro-1-methyl-1H-1,2,4-triazole (CAS 56616-92-3)
- 3-Chloro-4-methyl-4H-1,2,4-triazole (CAS 56616-87-6)
- 4-Chloro-1H-pyrazol-1-amine (CAS 3994-41-0)
- 4-Chloro-1H-pyrazol-3-amine (CAS 54301-34-7)
Recommended Standards
- 5-(Chloromethyl)-1H-1,2,3-triazole (CAS 854937-88-5)
- 5-(Chloromethyl)-1H-1,2,4-triazole (CAS 55928-92-2)
- 5-Chloro-1H-pyrazol-3-amine (CAS 916211-79-5)
- 56616-99-0 1H-1,2,4-Triazole, 5-chloro-1-methyl- DTXSID80205192 (CAS 56616-99-0)
- (5E)-5-[(Dimethylamino)methylidene]-1-(4-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1H-indol-4-one (CAS 338397-33-4)
- N-Methyloxetan-3-amine (CAS 952182-03-5)
- N-(2-chlorophenyl)-2,3-dihydro-4H-benzo[b][1,4]thiazine-4-carboxamide (CAS 338750-61-1)
- 1-Boc-4-(5-Bromo-4-methyl-2-pyridinyl)piperazine (CAS 944582-92-7)
- 1-(4-Bromophenyl)-1H-pyrrole-2,5-dione (CAS 13380-67-1)
- n-(4-Bromo-3-fluorobenzyl)-2-methoxyethan-1-amine (CAS 1248298-39-6)
- 5-Bromo-2-cyclobutylpyrimidin-4(3H)-one hydrochloride (CAS 2138005-12-4)
- N-((2S,3S,4S,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide (CAS 93060-86-7)
- 1-ethynyl-1,1'-bi(cyclopropane) (CAS 1391837-72-1)
- Semaglutide impurity 65 (CAS CATO-C4X-222665)
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