1-Methyl-2-nitro-4-(trifluoromethoxy)benzene CAS 70692-45-4
| CAS No. | 70692-45-4 |
| Molecular Formula | C8H6F3NO3 |
| Molecular Weight | 221.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
1-Methyl-2-nitro-4-(trifluoromethoxy)benzene (CAS 70692-45-4) is a high-purity analytical reference standard with the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol.
1-Methyl-2-nitro-4-(trifluoromethoxy)benzene (C8H6F3NO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 | C8H6F3NO3 |
| Molecular Weight | 221.13 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-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.) | 1977 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- 1-Bromo-2-methoxycyclooctane (CAS 74305-07-0)
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- 1-(bromomethyl)-3-ethoxy-benzene (CAS 3898-24-6)
- 1-Nitro-3-(2,2,2-trifluoroethoxy)benzene (CAS 87014-29-7)
- Methyl 3,5-dibromo-4-fluorothiophene-2-carboxylate (CAS 2839564-13-3)
- Methyl 3-amino-5-iodobenzo[b]thiophene-2-carboxylate (CAS 2090987-68-9)
- 5-((1,1,1-Trifluoropropan-2-yl)oxy)pentane-1-sulfonyl chloride (CAS 1537504-37-2)
- 2-Prop-2-ynoxybenzaldehyde (CAS 29978-83-4)
- 5β-CHOLESTAN-3β, 6β-DIOL (CAS 570-86-5)
- 6-ethoxy-4-hydroxy-1,5-naphthyridine-3-carboxylic acid (CAS 92808-09-8)
- Ezetimibe Lactone Impurity 128 (CAS CATO-C4X-1098128)
- 4,4’,4’’-Nitrilotribenzoic Acid (CAS 118996-38-6)
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