Methyl 2-chloro-4-fluoro-5-nitrobenzoate CAS 85953-30-6
| CAS No. | 85953-30-6 |
| Molecular Formula | C8H5ClFNO4 |
| Molecular Weight | 233.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Methyl 2-chloro-4-fluoro-5-nitrobenzoate.
CATO supplies Methyl 2-chloro-4-fluoro-5-nitrobenzoate (CAS 85953-30-6), a certified reference material (molecular formula C8H5ClFNO4, MW 233.58 g/mol) for analytical method development and quality control.
Based on its molecular formula C8H5ClFNO4, Methyl 2-chloro-4-fluoro-5-nitrobenzoate contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 233.58 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
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 | C8H5ClFNO4 |
| Molecular Weight | 233.58 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.) | 1981 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- 4-Chloro-2-fluoro-5-nitro-benzoic acid methyl ester (CAS 1070893-15-0)
- 4-Chloro-5-fluoro-2-nitrobenzoic Acid Methyl Ester (CAS 1113049-81-2)
- Methyl 2-chloro-3-fluoro-5-nitrobenzoate (CAS 1256260-39-5)
- 4-chloro-7-(trifluoromethyl)pyrido[3,2-d]pyrimidine (CAS 1256834-22-6)
- Methyl 3-Chloro-2-fluoro-5-nitrobenzoate (CAS 1509132-39-1)
- Methyl 3-chloro-4-fluoro-5-nitrobenzoate (CAS 1529446-36-3)
- 2-(4-chloro-5-fluoro-2-nitrophenyl)acetic acid (CAS 1565927-14-1)
- 4-Chloro-2-(trifluoromethyl)pyrido[3,4-d]pyrimidine (CAS 161334-00-5)
Recommended Standards
- Benzoic acid, 3-chloro-6-fluoro-2-nitro-, methyl ester (CAS 2102410-62-6)
- Methyl 3-chloro-5-fluoro-4-nitrobenzoate (CAS 2387035-92-7)
- 5-Chloro-3-(trifluoromethyl)pyrido[3,4-b]pyrazine (CAS 877402-73-8)
- Methyl 5-chloro-4-fluoro-2-nitrobenzoate (CAS 623588-40-9)
- 1-(2-Chloro-4-(difluoromethoxy)phenyl)ethanone (CAS 1824648-23-8)
- tert-Butyl (3-oxocyclopent-1-en-1-yl)glycinate (CAS 1648648-63-8)
- Ethyl 7-(oxiran-2-yl)heptanoate (CAS 1640980-42-2)
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