isopropyl (E)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-2-bromoacrylate CAS 1642300-93-3
| CAS No. | 1642300-93-3 |
| Molecular Formula | C16H12BrF6N3O2 |
| Molecular Weight | 472.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 472.18 g/mol gives isopropyl (E)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-2-bromoacrylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
isopropyl (E)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-2-bromoacrylate (CAS 1642300-93-3), molecular formula C16H12BrF6N3O2 and molecular weight 472.18 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, isopropyl (E)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-2-bromoacrylate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 472.18 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.
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 | C16H12BrF6N3O2 |
| Molecular Weight | 472.18 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 |
Related isopropyl Standards
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- Tris(2-isopropyl-5-methylcyclohexyl) borate (CAS 21105-05-5)
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Recommended Standards
- 3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthalene (CAS 75640-69-6)
- N-(5-Iodo-3-nitro-6-(4-nitrophenethoxy)pyridin-2-yl)acetamide (CAS 1415562-49-0)
- 2-(N-(2,4-dichloro-5-methoxyphenyl)methylsulfonamido)-N-(2,4-dichlorophenyl)acetamide (CAS 343374-19-6)
- 4-Bromo-2-((2,4-dichlorophenyl)sulfonyl)-N,N-diethylthiazole-5-carboxamide (CAS 1000576-46-4)
- 8-Oxo-8-(4-n-propoxyphenyl)octanoic acid (CAS 898791-82-7)
- Thulium(III) iodide (CAS 13813-43-9)
- 3-(4-Fluoro-2-methoxyphenyl)pentan-3-ol (CAS 1443344-02-2)
- 6-Chloro-3-iodo-1H-pyrrolo[3,2-b]pyridine (CAS 1190311-84-2)
- 5-(2-Hydroxy-6-oxo-cyclohex-1-enecarbonyl)-4-oxazol-2-yl-2-trifluoromethyl-benzonitrile (CAS 1231601-71-0)
- 1λ⁴-thiomorpholine-1,3-dione (CAS 88620-29-5)
- (2S)-2-Amino-N-isopropyl-N-((1-methylpiperidin-3-yl)methyl)propanamide (CAS 1354026-28-0)
- 3-(Dimethylamino)-1-(4-pyridinyl)-2-propen-1-one (CAS 66521-53-7)
- 2-Anthracenecarboxylic Acid (CAS 613-08-1)
- Tau Peptide (379-408) trifluoroacetate salt (CAS 1246357-53-8)
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