5-Bromo-2-(trifluoromethoxy)nitrobenzene CAS 95668-20-5
| CAS No. | 95668-20-5 |
| Molecular Formula | C7H3BrF3NO3 |
| Molecular Weight | 286.00 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-Bromo-2-(trifluoromethoxy)nitrobenzene is closely related to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 5-Bromo-2-(trifluoromethoxy)nitrobenzene (CAS 95668-20-5), a certified reference material (molecular formula C7H3BrF3NO3, MW 286.00 g/mol) for analytical method development and quality control.
5-Bromo-2-(trifluoromethoxy)nitrobenzene (C7H3BrF3NO3) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system. 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.
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 | C7H3BrF3NO3 |
| Molecular Weight | 286.00 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, water |
| 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.) | 1984 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
Related Bromo Standards
- 2-Bromo-4-(trifluoromethoxy)nitrobenzene (CAS 1003708-31-3)
- 4-Bromo-1-nitro-2-(trifluoromethoxy)benzene (CAS 1260879-28-4)
- 5-Bromo-2-(trifluoromethoxy)nicotinic acid (CAS 1361803-33-9)
- 1-Bromo-2-(difluoromethoxy)-5-fluoro-4-nitrobenzene (CAS 1417566-72-3)
- 1-Bromo-3-nitro-2-(trifluoromethoxy)benzene (CAS 1417567-59-9)
- 3-Bromo-6-nitro-2-(trifluoromethyl)phenol (CAS 1445995-70-9)
- 4-Bromo-2-nitro-5-(trifluoromethyl)phenol (CAS 1613719-77-9)
- 1-Bromo-3-difluoromethoxy-4-fluoro-5-nitrobenzene (CAS 1804910-01-7)
Recommended Standards
- 4-Bromo-2-nitro-6-(trifluoromethyl)phenol (CAS 2089255-50-3)
- 5-Bromo-2-nitro-3-(trifluoromethyl)phenol (CAS 2092867-77-9)
- 4-bromo-1-(bromomethyl)-2-methoxybenzene (CAS 854778-42-0)
- 5-Bromo-6-oxo-2-(trifluoromethyl)-1,6-dihydropyridine-3-carboxylic acid (CAS 862111-62-4)
- N-(5-Bromo-3-indolyl)-D-alaninamide trifluoroacetate salt (CAS 177966-72-2)
- Methyl 4-(3-methyl-1H-1,2,4-triazol-1-yl)benzoate (CAS 1309460-28-3)
- 2-(3-((Benzyl(cyclopropyl)amino)methyl)piperidin-1-yl)acetic acid (CAS 1353985-41-7)
- 2-(Chloromethyl)-6-(trifluoromethoxy)benzo[d]oxazole (CAS 1806392-74-4)
- 3-(4-Chlorophenyl)-5-ethylisoxazole-4-carboxylic acid (CAS 91961-52-3)
- 4-bromo-1,2-dihydro-2,7-naphthyridin-1-one (CAS 959558-27-1)
- Furan-2-yl(5-methylnaphthalen-2-yl)methanol (CAS 356553-10-1)
- Hydroxyhomo Sildenafil (CAS 139755-85-4)
- 2-(2-Chlorophenyl)pyrimidine-5-carbaldehyde (CAS 928712-80-5)
- Tirzepatide (CAS 2023788-19-2)
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