Methyl 3-amino-4-chloro-5-nitrobenzoate CAS 642068-72-2
| CAS No. | 642068-72-2 |
| Molecular Formula | C8H7ClN2O4 |
| Molecular Weight | 230.61 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies Methyl 3-amino-4-chloro-5-nitrobenzoate (CAS 642068-72-2), a certified reference material (molecular formula C8H7ClN2O4, MW 230.61 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, Methyl 3-amino-4-chloro-5-nitrobenzoate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 230.61 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
Physical & Chemical Properties
| Molecular Formula | C8H7ClN2O4 |
| Molecular Weight | 230.61 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| 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.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Methyl Standards
- Methyl 4-amino-2-chloro-5-nitrobenzoate (CAS 1616257-07-8)
- 2-Amino-2-(4-chloro-3-nitrophenyl)acetic Acid (CAS 768347-03-1)
- Methyl 2-amino-4-chloro-5-nitrobenzoate (CAS 78795-16-1)
- Methyl 2-Amino-5-chloro-3-nitrobenzoate (CAS 84228-49-9)
- Methyl 2-amino-5-chloro-4-nitrobenzoate (CAS 530084-00-5)
- Methyl 2-amino-6-chloro-3-nitrobenzoate (CAS 635317-46-3)
- Methyl 3-amino-5-chloro-2-nitrobenzoate (CAS 874301-23-2)
- Methyl 4-amino-3-chloro-5-nitrobenzoate (CAS 863886-04-8)
Recommended Standards
- N-(2-Chloro-5-hydroxy-4-nitrophenyl)acetamide (CAS 2092000-50-3)
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- ethyl 2-chloro-5-nitro-pyridine-4-carboxylate (CAS 907545-64-6)
- Aprepitant impurity 51 (CAS CATO-C4X-114151)
- N-(2-Aminophenyl)-4-((7-methoxy-2H-indazol-2-yl)methyl)benzamide (CAS 920315-43-1)
- 2-(Cyclopentylmethyl)-5-iodo-1,3,4-thiadiazole (CAS 1339636-04-2)
- 2-(2-(Azepan-1-yl)-4-(4-methoxy-3-methylphenyl)thiazol-5-yl)acetic acid (CAS 1443286-09-6)
- 1-(4-(Methylsulfonyl)phenyl)propan-2-one (CAS 88356-97-2)
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