({5-(2-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid CAS 743439-42-1
| CAS No. | 743439-42-1 |
| Molecular Formula | C17H11BrF3N3O2S |
| Molecular Weight | 458.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of ({5-(2-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies ({5-(2-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid (CAS 743439-42-1), a certified reference material (molecular formula C17H11BrF3N3O2S, MW 458.25 g/mol) for analytical method development and quality control.
Structurally, ({5-(2-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid (C17H11BrF3N3O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 458.25 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 ({5-(2-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid 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 | C17H11BrF3N3O2S |
| Molecular Weight | 458.25 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related bromophenyl Standards
- 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide (CAS 332170-99-7)
- 4-((3-Bromophenyl)sulfonyl)-N-(1-(thiophen-2-yl)ethyl)piperazine-1-carboxamide (CAS 1090528-71-4)
- 3-(4-(4-Bromophenyl)-5-((2-chlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine (CAS 678181-51-6)
- 3-(4-(4-Bromophenyl)-5-((3-chlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine (CAS 678190-60-8)
- 3-{[(4-bromophenyl)sulfanyl]methyl}-2-(4-chlorobenzoyl)-1-benzofuran (CAS 338424-00-3)
- 4-(4-(4-Bromophenyl)-5-((2-chlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine (CAS 477329-78-5)
- 4-(4-(4-Bromophenyl)-5-((3-chlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine (CAS 477331-24-1)
- (4-Bromophenyl)(5,7-dibromobenzofuran-2-yl)methanone (CAS 83806-75-1)
Recommended Standards
- Vinyltriethylsilane(hexafluoroacetylacetonato)silver(I) (CAS 177279-28-6)
- 2,8-Dibromoindeno[1,2-b]fluorene-6,12-dione (CAS 853234-57-8)
- (2E)-2-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-indol-3-yl}-3-(2-chlorophenyl)prop-2-enenitrile (CAS 321433-37-8)
- 5-[(1E)-1-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazin-1-ylidene}ethyl]-1-(4-chlorophenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione (CAS 321432-27-3)
- N’-(pyrrolidin-3-yl)-2-(4H-1,2,4-triazol-3-yl)ethanimidamide trihydrochloride (CAS 1807938-75-5)
- 4-(4-(Benzyloxy)phenyl)-2-methylbut-3-yn-2-ol (CAS 152915-78-1)
- 2-(Bromomethyl)-3-chloropyridine hydrobromide (CAS 1987286-77-0)
- 2-Methyl-4-(o-tolyl)thiazole (CAS 1802489-68-4)
- 2-chloro-6-(trifluoromethyl)quinoline (CAS 78060-56-7)
- 4-(5-Pentylpyrimidin-2-yl)benzonitrile (CAS 59855-05-9)
- N-Boc-4-chloro-3-fluoroaniline (CAS 869299-68-3)
- 1-(2-Fluoroethyl)-1H-pyrazole-3-carbaldehyde (CAS 1427013-72-6)
- N-methyl-3-(pyridin-2-yl)piperidine-3-carboxamide (CAS 1316227-46-9)
- 1-His-N-a-ethylidene Semaglutide (CAS CATO-C4X-2226252)
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