1-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-3,3-dimethylbutan-2-one CAS 477329-71-8
| CAS No. | 477329-71-8 |
| Molecular Formula | C19H19BrN4OS |
| Molecular Weight | 431.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 431.35 g/mol gives 1-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-3,3-dimethylbutan-2-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-3,3-dimethylbutan-2-one (CAS 477329-71-8), molecular formula C19H19BrN4OS and molecular weight 431.35 g/mol, is a CATO reference standard with documented purity and traceability.
1-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-3,3-dimethylbutan-2-one (C19H19BrN4OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine substitution. Halogen substitution raises its density and boiling point; 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.
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.
CATO manufactures 1-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-3,3-dimethylbutan-2-one 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 | C19H19BrN4OS |
| Molecular Weight | 431.35 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Bromophenyl Standards
- 1-((4-(4-Bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-3,3-dimethylbutan-2-one (CAS 477330-45-3)
- 2-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-isobutylquinazolin-4(3H)-one (CAS 255865-18-0)
- 4-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-5,6-dihydrobenzo[h]quinazoline (CAS 956965-83-6)
- N-(4-Bromophenyl)-2-((4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl)thio)acetamide (CAS 1251704-20-7)
- 2-[(3-Bromophenyl)methyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidine-1,3-dione (CAS 1775337-53-5)
- 4-(5-(4-Bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid (CAS 309925-78-8)
- 3-((6-(4-Bromophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl)thio)propanoic acid (CAS 625376-46-7)
- 3-[(4-Bromophenyl)sulfanyl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione (CAS 301194-49-0)
Recommended Standards
- 3-(4-Allyl-5-(prop-2-yn-1-ylthio)-4H-1,2,4-triazol-3-yl)-1-(3,4-dichlorobenzyl)pyridin-2(1H)-one (CAS 477853-25-1)
- (1Z,4E)-5-(2-{6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl}hydrazin-1-yl)-1-(thiophen-2-yl)penta-1,4-dien-3-one (CAS 860649-36-1)
- ((2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-(((E)-4-hydroxy-3-methylbut-2-en-1-yl)amino)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate (CAS 25615-16-1)
- 5-(Methylsulfinyl)-4-(4-(trifluoromethyl)phenyl)-2-(6-(trifluoromethyl)pyridin-3-yl)pyrimidine (CAS 958559-82-5)
- Cyclobutyl(thiophen-2-yl)methanamine hydrochloride (CAS 1864059-28-8)
- Ethyl 2-(1-benzhydryl-3-(nitromethyl)azetidin-3-yl)acetate (CAS 2387601-33-2)
- 1,1-Dimethylbutyl 2-methyl-2-propenoate (CAS 100472-88-6)
- Hydroxy Meprobamate (CAS 3567-43-9)
- 5-Amino-N-(3-methoxybenzyl)-1-(2-methylbenzyl)-1H-1,2,3-triazole-4-carboxamide (CAS 899981-97-6)
- Semaglutide Impurity 147 (CAS CATO-C4X-2226147)
- 3,5-Dichloro-4-methylphenylacetonitrile (CAS 1806275-24-0)
- Ornidazole (CAS 16773-42-5)
- N-(1-((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-1H-pyrazol-4-yl)-5-(1,2-dithiolan-3-yl)pentanamide (CAS 1705877-03-7)
- (Glu1)-Fibrinopeptide B (human) (CAS 103213-49-6)
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