(E)-3-{3-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid CAS 866154-72-5
| CAS No. | 866154-72-5 |
| Molecular Formula | C16H10F3NO5 |
| Molecular Weight | 353.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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 supplies (E)-3-{3-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid (CAS 866154-72-5), a certified reference material (molecular formula C16H10F3NO5, MW 353.25 g/mol) for analytical method development and quality control.
Structurally, (E)-3-{3-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid (C16H10F3NO5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 353.25 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.
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 | C16H10F3NO5 |
| Molecular Weight | 353.25 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- 1-(4-Bromo-3-fluorophenyl)-3-(4-(methylthio)phenyl)propan-1-one (CAS 898781-39-0)
- 2-(2-Aminoethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one hydrochloride (CAS 1262773-55-6)
- Benzyl 4-(aminomethyl)benzylcarbamate (CAS 164648-85-5)
- 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine (CAS 916256-65-0)
- 2-fluoropropanedioic acid (CAS 473-87-0)
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- n-(2-(Ethylamino)-2-oxoethyl)-4-fluorobenzamide (CAS 1158538-13-6)
- 2-[Methyl(tetrahydro-2H-pyran-4-ylmethyl)amino]-nicotinic acid (CAS 1219981-37-9)
- Tirzepatide Impurity 51 (CAS CATO-C4X-324051)
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