Methyl 4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole-3-carboxylate CAS 1708159-34-5
| CAS No. | 1708159-34-5 |
| Molecular Formula | C6H6F3N3O2 |
| Molecular Weight | 209.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole-3-carboxylate is closely related to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl 4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole-3-carboxylate (CAS 1708159-34-5) is a high-purity analytical reference standard with the molecular formula C6H6F3N3O2 and a molecular weight of 209.13 g/mol.
Methyl 4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole-3-carboxylate (C6H6F3N3O2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures Methyl 4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole-3-carboxylate 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 | C6H6F3N3O2 |
| Molecular Weight | 209.13 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- 5-(3-Fluoropyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid (CAS 1489985-41-2)
- (4-Bromothiophen-2-yl)methanethiol (CAS 192441-03-5)
- 1-Ethyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole (CAS 1443279-41-1)
- 2-bromo-3-(methylsulfanyl)thiophene (CAS 94781-39-2)
- 7-Fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline (CAS 249624-75-7)
- N,N-Dimethyloctadec-9-en-1-amine (CAS 45263-24-9)
- 1,3,5-Tri(pyren-1-yl)benzene (CAS 349666-25-7)
- (R)-1,2,2-Triphenylethan-1-amine (CAS 698999-18-7)
- O-(2-Nitrobenzyl)-L-tyrosine (CAS 184591-51-3)
- 5-Chloro-1H-pyrrolo[3,2-b]pyridin-7-amine (CAS 1000577-90-1)
- 6-Chloro-7-azaindole (CAS 55052-27-2)
- 4-(chloromethyl)-2-isopropoxypyridine (CAS 1249634-97-6)
- Benzyl (R)-(morpholin-2-ylmethyl)carbamate (CAS 1286768-73-7)
- (Thr(PO3H2)231)-Tau Peptide (225-237) trifluoroacetate salt (CAS 1670270-09-3)
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