3-((2,4-Dichlorobenzyl)thio)-4-ethyl-5-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole CAS 778579-08-1
| CAS No. | 778579-08-1 |
| Molecular Formula | C21H16Cl2F3N5S |
| Molecular Weight | 498.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 498.35 g/mol gives 3-((2,4-Dichlorobenzyl)thio)-4-ethyl-5-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-((2,4-Dichlorobenzyl)thio)-4-ethyl-5-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole (CAS 778579-08-1) is a high-purity analytical reference standard with the molecular formula C21H16Cl2F3N5S and a molecular weight of 498.35 g/mol.
Structurally, 3-((2,4-Dichlorobenzyl)thio)-4-ethyl-5-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole (C21H16Cl2F3N5S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 498.35 g/mol, it falls into the moderately-high-molecular-weight range. 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 3-((2,4-Dichlorobenzyl)thio)-4-ethyl-5-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole 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 | C21H16Cl2F3N5S |
| Molecular Weight | 498.35 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Dichlorobenzyl Standards
- N-(3,4-dichlorobenzyl)-1-(4-phenylthiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 321998-62-3)
- 1-(2,4-Dichlorobenzyl)-3-(4-ethyl-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)pyridin-2(1H)-one (CAS 477853-24-0)
- 2-((2-(4-((3,4-Dichlorobenzyl)oxy)phenyl)-2-oxoethyl)thio)-3-ethylquinazolin-4(3H)-one (CAS 301194-77-4)
- (E)-3-(3-((2,4-dichlorobenzyl)oxy)phenyl)-3-oxopropanal O-(2,6-dichlorobenzyl) oxime (CAS 478047-02-8)
- 1-(3,4-Dichlorobenzyl)-3-((2,4,6-trichlorophenyl)diazenyl)-1H-indol-2-ol (CAS 303985-19-5)
- Methyl 4-(((5-(((2,4-dichlorobenzyl)thio)methyl)-4-isopropyl-4H-1,2,4-triazol-3-yl)thio)methyl)benzoate (CAS 344274-21-1)
- 3-(3-((2,4-Dichlorobenzyl)oxy)phenyl)-1-(mesitylsulfonyl)-1H-pyrazole (CAS 477712-75-7)
- 3-(((2,6-Dichlorobenzyl)sulfinyl)methyl)-5-((2,6-dichlorobenzyl)thio)-4-methyl-4H-1,2,4-triazole (CAS 344271-79-0)
Recommended Standards
- 1,4-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihexylbenzene (CAS 374934-77-7)
- Dapagliflozin Impurity 48 (CAS CATO-C4X-113848)
- 1704066-68-1 Ethyl 5-acetoxy-6-bromo-2-((1,3-dioxo-2,3-dihydro-1H-inden-2-yl)methyl)-1-methyl-1H-indole-3-carboxylate (CAS 1704066-68-1)
- N-(4-bromo-2-methylphenyl)-2-((3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)acetamide (CAS 626227-38-1)
- 4-Bromo-2-cyano-5-(difluoromethyl)benzene-1-sulfonyl chloride (CAS 1804907-04-7)
- Naphtho[8,1,2-abc]coronene (CAS 6596-38-9)
- 3-(2,3-difluorophenyl)propanal (CAS 955403-58-4)
- (R)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-5-cyclohexylpentanoic acid (CAS 2350167-30-3)
- bicyclo[3.2.1]octane-1-carboxylic acid (CAS 2534-83-0)
- 1-(1-(Tert-butoxycarbonyl)pyrrolidin-3-yl)-1h-pyrazole-4-carboxylic acid (CAS 1381057-93-7)
- Methyl 4-Amino-5-chlorothiophene-2-carboxylate (CAS 89499-44-5)
- 2-(4-Bromophenyl)-N-(2-(thiophen-3-yl)benzyl)acetamide (CAS 1797871-74-9)
- 7-Chloro-D-tryptophan (CAS 75102-74-8)
- D-[Phe6]-Semaglutide (CAS CATO-C4X-2226213)
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