2-[5-(propan-2-yl)-4h-1,2,4-triazol-3-yl]acetonitrile CAS 168260-22-8
| CAS No. | 168260-22-8 |
| Molecular Formula | C7H10N4 |
| Molecular Weight | 150.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-[5-(propan-2-yl)-4h-1,2,4-triazol-3-yl]acetonitrile (CAS 168260-22-8), molecular formula C7H10N4 and molecular weight 150.18 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrile group, an aromatic ring system, 2-[5-(propan-2-yl)-4h-1,2,4-triazol-3-yl]acetonitrile is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 150.18 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.
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.
Physical & Chemical Properties
| Molecular Formula | C7H10N4 |
| Molecular Weight | 150.18 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2005 |
| Nitrogen Atoms | 4 |
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Recommended Standards
- ethyl N-(pyridin-4-yl)carboximidate (CAS 16705-92-3)
- 4-(3-amino-1H-pyrazol-1-yl)butanenitrile (CAS 169266-68-6)
- N'-methylbenzohydrazide (CAS 1660-24-8)
- 1-Methyl-1,2,3,4-tetrahydropyrazino[2,3-b]pyrazine (CAS 1707584-00-6)
- 4-(3-Fluoro-4-methylphenyl)butanoic acid (CAS 837373-12-3)
- (R)-Methyl 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxypropanoate 874817-14-8 (CAS 874817-14-8)
- (S)-2-(3-Fluoro-2-methylphenyl)pyrrolidine (CAS 1212912-32-7)
- Hydroxy Meprobamate (CAS 3567-43-9)
- 1-(2-Hydroxy-5-propylphenyl)ethanone (CAS 1990-24-5)
- Methyl 4-amino-4,5,6,7-tetrahydrobenzofuran-3-carboxylate (CAS 1173146-04-7)
- 3-bromo-2,5,6-trideuterio-4-fluoro-aniline (CAS 2127415-60-3)
- N-(2,4-Difluorophenyl)-2-(thiophen-2-yl)acetamide (CAS 349432-67-3)
- N4-Benzoyl-2’-O-methylcytidine (CAS 52571-45-6)
- Peptide Impurity 64 (CAS CATO-CPTD788964)
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