1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole CAS 646989-38-0
| CAS No. | 646989-38-0 |
| Molecular Formula | C11H7F6N3 |
| Molecular Weight | 295.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole (CAS 646989-38-0), a certified reference material (molecular formula C11H7F6N3, MW 295.18 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution, 1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 295.18 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C11H7F6N3 |
| Molecular Weight | 295.18 g/mol |
| Appearance | Off-white to pale 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
- 1,1,1-Trifluoro-N-methyl-N-((trifluoromethyl)sulfonyl)methanesulfonamide (CAS 537031-78-0)
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- 1-(3-Bromopropyl)-1,3-dihydro-3-(1-methylethenyl)-2H-benzimidazol-2-one (CAS 864267-63-0)
- 1-Methyl-2,4-bis(trifluoromethyl)quinolin-7(1H)-one (CAS 91915-73-0)
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- 5-Methyl-N-[(1E,3E)-3-[(5-methyl-1,2-oxazol-3-yl)imino]prop-1-en-1-yl]-1,2-oxazol-3-amine hydrochloride (CAS 1274947-91-9)
- 3-(4-Fluorobenzyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride (CAS 2089325-31-3)
- 4-Bromo-2-(trifluoromethyl)-1,3-benzoxazole (CAS 217326-71-1)
- Benzylpenicillin Impurity 82 (CAS CATO-C4X-189982)
- Ethyl 3-methyl-5-(3-(trifluoromethyl)benzamido)thiophene-2-carboxylate (CAS 477567-85-4)
- 3,4-Dimethylpiperidine (CAS 34970-88-2)
- 3-cyano-2,4,5-trifluorobenzoic acid (CAS 195532-64-0)
- 2,3-Dimethyl-5-(pentan-2-yl)pyrazine (CAS 75492-04-5)
- Semaglutide impurity 290 (CAS CATO-C4X-2226290)
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