(Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-2-bromoacrylic acid CAS 1642300-91-1
| CAS No. | 1642300-91-1 |
| Molecular Formula | C13H6BrF6N3O2 |
| Molecular Weight | 430.10 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, (Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-2-bromoacrylic acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 430.10 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
CATO supplies (Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-2-bromoacrylic acid (CAS 1642300-91-1), a certified reference material (molecular formula C13H6BrF6N3O2, MW 430.10 g/mol) for analytical method development and quality control.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C13H6BrF6N3O2 |
| Molecular Weight | 430.10 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- 1,1,1,2,2,3-Hexafluoro-5-iodo-3-(trifluoromethyl)nonane (CAS 239464-01-8)
- (E)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-2-bromoacrylic acid (CAS 1642300-94-4)
- 1-(4-Bromophenyl)-3-((4-iodophenyl)amino)propan-1-one (CAS 477320-52-8)
- (4S,4′S)-2,2′-Bis(2,6-dichlorophenyl)-4,4′,5,5′-tetrahydro-4,4′-bioxazole (CAS 263752-11-0)
- 2-(4-Chlorobenzoyl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1-benzofuran (CAS 338411-44-2)
- 2-Amino-3-(3-isobutoxyphenyl)propanoic acid (CAS 603106-61-2)
- 2,2,4,6,7-Pentamethyl-2,3-dihydrobenzofuran-5-ol (CAS 84574-05-0)
- 2-(4-(Difluoromethyl)-6-fluoro-5-(trifluoromethoxy)pyridin-3-yl)acetonitrile (CAS 1806028-50-1)
- 3-Acetoxy-2-butanone (CAS 4906-24-5)
- 2-Cyclopropoxy-4-nitropyridine (CAS 1394928-50-7)
- 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanamine (CAS 122416-41-5)
- 1-(3-(Trifluoromethyl)cyclohexyl)ethan-1-amine (CAS 1560300-11-9)
- 7-methyl-4,7-diazaspiro[2.5]octane;dihydrochloride (CAS 1783786-17-3)
- Acetyl Tetrapeptide-5 (CAS 820959-17-9)
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