2-(3-Methyl-5-oxo-4-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetonitrile CAS 861206-68-0
| CAS No. | 861206-68-0 |
| Molecular Formula | C12H9F3N4O |
| Molecular Weight | 282.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO supplies 2-(3-Methyl-5-oxo-4-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetonitrile (CAS 861206-68-0), a certified reference material (molecular formula C12H9F3N4O, MW 282.22 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 2-(3-Methyl-5-oxo-4-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetonitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 282.22 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.
CATO manufactures 2-(3-Methyl-5-oxo-4-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetonitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H9F3N4O |
| Molecular Weight | 282.22 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
Recommended Standards
- 2-((3-(Trifluoromethyl)phenyl)amino)isonicotinic acid (CAS 42729-22-6)
- 2,4,6-Tri(4H-1,2,4-triazol-4-yl)-1,3,5-triazine (CAS 2209-80-5)
- 2-((2-(Trifluoromethyl)pyridin-4-yl)amino)benzoic acid (CAS 478068-00-7)
- Diflufenican-des-2,4-difluorophenyl (CAS 923557-73-7)
- 3-(3,4-Dimethoxy-phenyl)-propynoic acid (CAS 22511-06-4)
- 2-Chloro-3,5-difluoronitrobenzene (CAS 36556-59-9)
- 2-Chloro-6-phenoxybenzo[d]thiazole (CAS 1188139-84-5)
- 5-(4-Nitrophenyl)-1,2-oxazole (CAS 3383-42-4)
- 2,4,4,6-Tetramethyl-5,6-dihydro-4H-1,3-oxazine (CAS 26939-18-4)
- 3-(diethoxymethyl)-5-(3-fluorophenyl)-1H-pyrazole (CAS 1414326-30-9)
- 8-Fluoroquinoline HCl (CAS 311346-65-3)
- N-(2-Bromophenyl)-2-(trifluoromethyl)benzamide (CAS 425415-37-8)
- 2-({[(9H-fluoren-9-ylmethoxy)carbonyl]amino}methyl)-3-methylbutanoic acid (CAS 180181-98-0)
- TAT 14 Peptide (Nrf2 Activator III) (CAS 1362661-34-4)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com