[4-(2,4-Difluorophenoxy)-3-nitrophenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate CAS 338960-97-7
| CAS No. | 338960-97-7 |
| Molecular Formula | C21H13F5N2O5 |
| Molecular Weight | 468.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of [4-(2,4-Difluorophenoxy)-3-nitrophenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
[4-(2,4-Difluorophenoxy)-3-nitrophenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate (CAS 338960-97-7) is a high-purity analytical reference standard with the molecular formula C21H13F5N2O5 and a molecular weight of 468.33 g/mol.
Structurally, [4-(2,4-Difluorophenoxy)-3-nitrophenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate (C21H13F5N2O5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 468.33 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
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 | C21H13F5N2O5 |
| Molecular Weight | 468.33 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Difluorophenoxy Standards
- 2-(2,4-Difluorophenoxy)-5-(2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl)-6H-pyrido[1,2-b]pyridazin-6-one (CAS 1349264-72-7)
- [4-(2,4-Difluorophenoxy)-3-nitrophenyl]methyl 3,4-dichlorobenzoate (CAS 338960-95-5)
- 4-(2,4-Difluorophenoxy)-5-(4-methylbenzenesulfonyl)-2-phenylpyrimidine (CAS 478247-31-3)
- N-{[2-(3,4-difluorophenoxy)phenyl]methyl}-4-iodoaniline (CAS 477886-93-4)
- (1E)-1-[2-(3,4-Difluorophenoxy)phenyl]-N-(4-iodophenyl)methanimine (CAS 477886-91-2)
- [4-(2,4-Difluorophenoxy)-3-nitrophenyl]methyl N-(4-chlorophenyl)carbamate (CAS 338960-96-6)
- 2-({4-[(2,4-difluorophenoxy)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole (CAS 477869-54-8)
- 3-(2-(2,4-Difluorophenoxy)-6-oxo-6H-pyrido[1,2-b]pyridazin-5-yl)-4-methoxybenzoic acid (CAS 940891-82-7)
Recommended Standards
- (4-(4-((2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)cyclohexane-1-carboxamido)-1-hydroxybutane-1,1-diyl)bis(phosphonic acid) (CAS 1426523-52-5)
- 3-(4-(4-Bromophenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine (CAS 674355-26-1)
- Naphthol AS-BI Phosphate (CAS 1919-91-1)
- 4-(2,6-Dichlorophenyl)-9-hydroxy-6-(3-(methylamino)propyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione (CAS 622856-21-7)
- 5,6-Dihydro-4H-thieno[2,3-c]pyrrole (CAS 933726-76-2)
- [1-(6-Chloro-pyrimidin-4-yl)-piperidin-3-yl]-methyl-carbamic acid tert-butyl ester (CAS 1261233-51-5)
- Efinaconazole Impurity 28 (CAS 63608-15-1)
- (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-methoxytetrahydro-2H-pyran-2-carboxylic acid (CAS 4356-84-7)
- 3-[2-(3-Bromophenoxy)ethyl]piperidinehydrochloride (CAS 1219976-49-4)
- (2-(4-Chlorophenyl)-2H-tetrazol-5-yl)(3-hydroxyazetidin-1-yl)methanone (CAS 1396792-24-7)
- 3-(4-Chloro-2-nitrophenyl)-2-oxopropanoic acid (CAS 71300-08-8)
- (E)-3-(1h-Indol-5-yl)acrylic acid (CAS 179626-79-0)
- (S)-2-Hydroxybutanoic acid (CAS 3347-90-8)
- 30003-72-6 insulin chain b oxidized (CAS 30003-72-6)
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