(5-Bromo-2-methoxyphenyl)methyl 4-nitrobenzoate CAS 331459-95-1
| CAS No. | 331459-95-1 |
| Molecular Formula | C15H12BrNO5 |
| Molecular Weight | 366.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (5-Bromo-2-methoxyphenyl)methyl 4-nitrobenzoate is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
(5-Bromo-2-methoxyphenyl)methyl 4-nitrobenzoate (CAS 331459-95-1) is a high-purity analytical reference standard with the molecular formula C15H12BrNO5 and a molecular weight of 366.16 g/mol.
Structurally, (5-Bromo-2-methoxyphenyl)methyl 4-nitrobenzoate (C15H12BrNO5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 366.16 g/mol, it falls into the moderately-high-molecular-weight range. 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.
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 | C15H12BrNO5 |
| Molecular Weight | 366.16 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Bromo Standards
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- 5-Bromo-4-fluoro-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide (CAS 2420449-23-4)
- 4-Bromo-N-(2,4,5-trifluorophenyl)benzenesulfonamide (CAS 1480694-08-3)
- 4-Bromo-N-(3,5-difluorophenyl)-2-fluorobenzenesulfonamide (CAS 1715249-34-5)
- 4-Bromo-N-(3,4-difluorophenyl)-2-fluorobenzenesulfonamide (CAS 1771023-75-6)
- Ethyl 4-(4-bromo-2-fluorobenzamido)benzoate (CAS 330677-55-9)
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Recommended Standards
- (4-Bromophenyl)(7-nitro-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methanol (CAS 886493-46-5)
- 1-(2,4-Dichloro-5-methoxyphenyl)-5-(4-nitrophenyl)-1H-tetrazole (CAS 338961-26-5)
- (4-Bromophenyl)(4,5-dimethoxy-2-nitrophenyl)methanone (CAS 886493-86-3)
- 1-(2,4-Dichlorobenzyl)-5-nitro-1H-indole-2,3-dione 3-oxime (CAS 303740-86-5)
- 2,2,3,3-Tetrafluoro-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid (CAS 180091-38-7)
- 1,1-Dimethyl-3-phenyl-1H-isoindole (CAS 809283-62-3)
- N-[(4-Methylphenyl)sulfonyl]-L-serine (CAS 7663-92-5)
- 1-acetyl-6-bromo-1H-indazol-5-yl acetate (CAS 1206800-77-2)
- 4-Amino-3-(difluoromethyl)-6-(trifluoromethoxy)picolinonitrile (CAS 1804585-31-6)
- 4,5-Dichloro-3-(difluoromethyl)pyridin-2-ol (CAS 1806821-10-2)
- tri-tert-Butyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazol-2-yl)hydrazine-1,1,2-tricarboxylate (CAS 2170980-01-3)
- Methyl 4-chloro-6-(hydroxymethyl)nicotinate (CAS 1253792-68-5)
- Butylone-D3 HCl (CAS 1231710-63-6)
- Semaglutide Impurity 18 (CAS 1671100-14-3)
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