Methyl 2-chloro-6-nitrobenzoate CAS 80563-87-7
| CAS No. | 80563-87-7 |
| Molecular Formula | C8H6ClNO4 |
| Molecular Weight | 215.59 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Methyl 2-chloro-6-nitrobenzoate (CAS 80563-87-7) is a high-purity analytical reference standard with the molecular formula C8H6ClNO4 and a molecular weight of 215.59 g/mol.
Structurally, Methyl 2-chloro-6-nitrobenzoate (C8H6ClNO4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 215.59 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C8H6ClNO4 |
| Molecular Weight | 215.59 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.) | 1980 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- Methyl 3-chloro-4-nitrobenzoate (CAS 243984-48-7)
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- 4-((4-Fluorophenyl)amino)-4-oxobutanoic acid (CAS 199461-14-8)
- (Z)-3-(((4-chlorobenzyl)oxy)imino)-1-phenylindolin-2-one (CAS 341964-28-1)
- 14:0-14:0(COOH) PC (CAS 119766-79-9)
- n-Methoxy-7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (CAS 1410792-98-1)
- 6-Fluoro-2h-chromene-3-carbonitrile (CAS 133708-29-9)
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