Methyl 3-(difluoromethyl)-2-nitrobenzoate CAS 138229-19-3
| CAS No. | 138229-19-3 |
| Molecular Formula | C9H7F2NO4 |
| Molecular Weight | 231.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 231.15 g/mol gives Methyl 3-(difluoromethyl)-2-nitrobenzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies Methyl 3-(difluoromethyl)-2-nitrobenzoate (CAS 138229-19-3), a certified reference material (molecular formula C9H7F2NO4, MW 231.15 g/mol) for analytical method development and quality control.
The molecular framework of Methyl 3-(difluoromethyl)-2-nitrobenzoate (C9H7F2NO4) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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), Methyl 3-(difluoromethyl)-2-nitrobenzoate 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 | C9H7F2NO4 |
| Molecular Weight | 231.15 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.) | 1996 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- Methyl 4-(Difluoromethyl)-3-nitrobenzoate (CAS 1956371-33-7)
- 4-(Difluoromethyl)-3-methyl-5-nitropicolinamide (CAS 1804883-07-5)
- 2-(Difluoromethyl)-4-methyl-3-nitropyridine-6-carboxamide (CAS 1805070-63-6)
- 2-(Difluoromethyl)-3-methyl-4-nitropyridine-5-carboxamide (CAS 1806042-96-5)
- 2-(Difluoromethyl)-3-methyl-5-nitropyridine-4-carboxamide (CAS 1806043-02-6)
- 2-(Difluoromethyl)-3-methyl-5-nitropyridine-6-carboxamide (CAS 1807000-83-4)
- 2-(Difluoromethyl)-5-fluoro-4-nitropyridine-3-acetonitrile (CAS 1804425-91-9)
- 2-(Difluoromethyl)-6-fluoro-3-nitropyridine-4-acetonitrile (CAS 1805297-25-9)
Recommended Standards
- 3-Methylisoxazol-5-yl trifluoromethanesulfonate (CAS 1363210-15-4)
- Methyl 2-(2,3-difluoro-6-nitrophenyl)acetate (CAS 1429422-50-3)
- 3-(3-Fluoro-5-(trifluoromethyl)phenyl)-1H-1,2,4-triazole (CAS 1333154-07-6)
- 3-((1-(Bromomethyl)cyclopropyl)methyl)thiophene (CAS 1484895-42-2)
- (R)-3-[Boc(methyl)amino]piperidine (CAS 309962-67-2)
- (R)-1-(6-Diethylamino-pyrimidin-4-yl)-pyrrolidin-3-ol (CAS 1353944-24-7)
- (2,4-Dimethyl-5-nitrophenyl)boronic acid (CAS 319474-09-4)
- 4,4-Di-n-propylcyclohexanone (CAS 123018-62-2)
- 4-Bromo-2,6-dichloro-3-methylphenol (CAS 56037-74-2)
- Ethyl 8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate (CAS 847446-55-3)
- 3-Chloro-6-methoxy-N-phenylbenzo[b]thiophene-2-carboxamide (CAS 113424-98-9)
- tert-butyl 3-fluoroazepane-1-carboxylate (CAS 2387602-68-6)
- 4-Isobutylpiperidine Hydrochloride (CAS 1019852-12-0)
- GnRH Associated Peptide (GAP) (1-13), human (CAS 100111-07-7)
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