2-Methyl-3-nitro-5-(trifluoromethyl)benzoic acid CAS 1396780-63-4
| CAS No. | 1396780-63-4 |
| Molecular Formula | C9H6F3NO4 |
| Molecular Weight | 249.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-Methyl-3-nitro-5-(trifluoromethyl)benzoic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-Methyl-3-nitro-5-(trifluoromethyl)benzoic acid (CAS 1396780-63-4) is a high-purity analytical reference standard with the molecular formula C9H6F3NO4 and a molecular weight of 249.14 g/mol.
2-Methyl-3-nitro-5-(trifluoromethyl)benzoic acid (C9H6F3NO4) 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. 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 2-Methyl-3-nitro-5-(trifluoromethyl)benzoic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C9H6F3NO4 |
| Molecular Weight | 249.14 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- 5-Nitro-2-(2,2,2-trifluoroethoxy)benzaldehyde (CAS 1039819-61-8)
- Methyl 2-Nitro-5-(trifluoromethyl)benzoate (CAS 1214324-86-3)
- Methyl 5-nitro-2-(trifluoromethyl)benzoate (CAS 1214328-90-1)
- 2-(2-Nitro-6-(trifluoromethyl)phenyl)acetic acid (CAS 1214331-77-7)
- [4-Nitro-3-(trifluoromethyl)phenyl]acetic acid (CAS 1214332-25-8)
- Methyl 2-nitro-6-(trifluoromethyl)benzoate (CAS 1214332-45-2)
- 2-(3-Nitro-4-(trifluoromethyl)phenyl)acetic acid (CAS 1214360-56-1)
- Methyl 2-nitro-3-(trifluoromethyl)benzoate (CAS 1227511-70-7)
Recommended Standards
- 4-(Methoxycarbonyl)-6-(trifluoromethyl)picolinic acid (CAS 1393569-47-5)
- 3,5-Dichloro-4-[2-(dimethylamino)ethoxy]aniline (CAS 14111-15-0)
- 6-(Methoxycarbonyl)-4-(trifluoromethyl)picolinic acid (CAS 1393569-01-1)
- (E)-1,2-bis(4-Chlorophenyl)ethene (CAS 1657-56-3)
- N'-(2-methyl-4-(trifluoromethyl)thiazole-5-carbonyl)nicotinohydrazonamide (CAS 344262-08-4)
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