Methyl 2-(5-bromo-4-cyano-2-(difluoromethyl)phenyl)acetate CAS 1807213-98-4
| CAS No. | 1807213-98-4 |
| Molecular Formula | C11H8BrF2NO2 |
| Molecular Weight | 304.09 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Methyl 2-(5-bromo-4-cyano-2-(difluoromethyl)phenyl)acetate (CAS 1807213-98-4) is a high-purity analytical reference standard with the molecular formula C11H8BrF2NO2 and a molecular weight of 304.09 g/mol.
Methyl 2-(5-bromo-4-cyano-2-(difluoromethyl)phenyl)acetate (C11H8BrF2NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), Methyl 2-(5-bromo-4-cyano-2-(difluoromethyl)phenyl)acetate 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 | C11H8BrF2NO2 |
| Molecular Weight | 304.09 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- Ethyl 2-bromo-4-cyano-3-(difluoromethyl)benzoate (CAS 1804385-60-1)
- Ethyl 2-bromo-4-cyano-6-(difluoromethyl)benzoate (CAS 1805018-89-6)
- Ethyl 2-bromo-4-cyano-5-(difluoromethyl)benzoate (CAS 1805130-91-9)
- Ethyl 5-bromo-2-cyano-3-(difluoromethyl)benzoate (CAS 1805130-99-7)
- Ethyl 4-bromo-2-cyano-6-(difluoromethyl)benzoate (CAS 1805411-95-3)
- Ethyl 6-bromo-3-cyano-2-(difluoromethyl)benzoate (CAS 1805412-06-9)
- Ethyl 3-bromo-4-cyano-5-(difluoromethyl)benzoate (CAS 1805481-14-4)
- Methyl 2-(4-bromo-2-cyano-5-(difluoromethyl)phenyl)acetate (CAS 1805519-23-6)
Recommended Standards
- Methyl 2-(6-bromo-3-cyano-2-(difluoromethyl)phenyl)acetate (CAS 1807161-34-7)
- 1-iodo-4-(trifluoromethyl)bicyclo[2.2.2]octane (CAS 94994-04-4)
- Methyl 2-(2-bromo-3-cyano-6-(difluoromethyl)phenyl)acetate (CAS 1807117-31-2)
- 2-(4-Fluoro-3-(trifluoromethyl)benzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 2377607-36-6)
- 2-(Benzo[d][1,3]dioxol-5-yl)-N-isopentyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CAS 1022587-64-9)
- Fmoc-Nle-OH (CAS 77284-32-3)
- Quinoline-2,4-dicarboxylic acid (CAS 5323-57-9)
- 1'-Benzyl-1H-spiro[furo[3,4-c]pyridine-3,4'-piperidine] (CAS 1017599-03-9)
- Ozagrel Impurity 9 (CAS CATO-C4X-19719)
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- 3-(Piperidin-4-yl)-1,3-oxazinan-2-one hydrochloride (CAS 1233955-65-1)
- D-allo-Thr5-Semaglutide (CAS CATO-C4X-2226243)
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