5-Methyl-2-nitrobenzoic Acid CAS 3113-72-2
| CAS No. | 3113-72-2 |
| Molecular Formula | C8H7NO4 |
| Molecular Weight | 181.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 5-Methyl-2-nitrobenzoic Acid (CAS 3113-72-2), a certified reference material (molecular formula C8H7NO4, MW 181.15 g/mol) for analytical method development and quality control.
5-Methyl-2-nitrobenzoic Acid (C8H7NO4) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. It is notably hygroscopic, 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 | C8H7NO4 |
| Molecular Weight | 181.15 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (faint amine-like odor) |
| Purity | >95% |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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 |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- 3-Methyl-5-nitrobenzoic Acid (CAS 113882-33-0)
- 4-Methyl-2-nitrobenzoic Acid (CAS 27329-27-7)
- 4-methyl-3-nitrobenzoic acid (CAS 96-98-0)
- 2-Methyl-5-nitrobenzoic Acid (CAS 1975-52-6)
- 3-Methyl-2-nitrobenzoic Acid (CAS 5437-38-7)
- 3-Methyl-4-nitrobenzoic Acid (CAS 3113-71-1)
- 4-Nitrobenzoic-d (CAS 171777-66-5)
- 2-Nitrobenzoic-d4 Acid (CAS 855997-63-6)
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