1-(2-Methylpropoxy)-2-nitro-4-(trifluoromethyl)benzene CAS 787-33-7
| CAS No. | 787-33-7 |
| Molecular Formula | C11H12F3NO3 |
| Molecular Weight | 263.21 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.
1-(2-Methylpropoxy)-2-nitro-4-(trifluoromethyl)benzene (CAS 787-33-7), molecular formula C11H12F3NO3 and molecular weight 263.21 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-(2-Methylpropoxy)-2-nitro-4-(trifluoromethyl)benzene (C11H12F3NO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 263.21 g/mol, it falls into the medium-molecular-weight range. 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).
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 | C11H12F3NO3 |
| Molecular Weight | 263.21 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Methylpropoxy Standards
- 2-(2-Methylpropoxy)-1-nitro-4-(trifluoromethyl)benzene (CAS 1881329-89-0)
- 4-(2-Methylpropoxy)-1-nitro-2-(trifluoromethyl)benzene (CAS 1881332-36-0)
- 2-(2-Methylpropoxy)-3-nitro-5-(trifluoromethyl)pyridine (CAS 1881332-31-5)
- 4-(2-Methylpropoxy)-1-phenyl-1h-pyrazole-3-carboxylic acid (CAS 1152512-05-4)
- 3-(2-Methylpropoxy)-5-(trifluoromethoxy)phenol (CAS 1881291-54-8)
- 1-[4-(2-methylpropoxy)phenyl]cyclobutane-1-carboxylic acid (CAS 1037131-39-7)
- 1-(2-Methylpropoxy)-3-nitro-5-(trifluoromethoxy)benzene (CAS 1881329-97-0)
- 2-(2-Methylpropoxy)-6-nitronaphthalene (CAS 1881332-38-2)
Recommended Standards
- (S)-Methyl 2-amino-3-(4-(trifluoromethoxy)phenyl)propanoate (CAS 682328-60-5)
- 1-Butoxy-2-nitro-4-(trifluoromethyl)benzene (CAS 787-34-8)
- (S)-3-amino-2-(3-(trifluoromethoxy)benzyl)propanoic acid (CAS 914644-80-7)
- 2-(2-Methyl-4-(trifluoromethoxy)phenyl)acetic acid, 97% (CAS 886763-11-7)
- tert-Butyl 2-(2-chloro-5-fluoropyridin-4-yl)acetate (CAS 2755892-97-6)
- imidazo[1,5-a]pyridin-7-amine (CAS 1513258-12-2)
- O-{[5-(trifluoromethyl)pyridin-2-yl]methyl}hydroxylamine (CAS 1256803-76-5)
- (1-(Pyridin-4-yl)-1H-pyrazol-4-yl)boronic acid (CAS 1802481-47-5)
- 3-[3-(1,3-Dioxoisoindol-2-yl)propoxy]benzaldehyde (CAS 69383-92-2)
- 3-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoic acid (CAS 1094225-83-8)
- [3-(Cyclohexylmethoxy)phenyl]boronic acid (CAS 1236189-81-3)
- 2-(4-Nitrophenoxy)propanoyl chloride (CAS 859954-26-0)
- 2-Amino-9-chloro-4H-[1,3]thiazino[5,6-c]quinolin-4-one (CAS 1015560-19-6)
- Semaglutide Impurity 142 (CAS CATO-C4X-2226142)
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