Methyl 2-bromo-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate CAS 2096331-46-1
| CAS No. | 2096331-46-1 |
| Molecular Formula | C14H17BBrFO4 |
| Molecular Weight | 359.00 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of Methyl 2-bromo-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (C14H17BBrFO4) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Methyl 2-bromo-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (CAS 2096331-46-1), molecular formula C14H17BBrFO4 and molecular weight 359.00 g/mol, is a CATO reference standard with documented purity and traceability.
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.
CATO manufactures Methyl 2-bromo-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C14H17BBrFO4 |
| Molecular Weight | 359.00 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | F/Br-containing |
Related Methyl Standards
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Recommended Standards
- Methyl 2-bromo-4-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (CAS 2377607-39-9)
- Methyl 2-bromo-6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (CAS 2788844-14-2)
- 5-Bromo-6-iodo-1,2-dihydroacenaphthylene (CAS 55157-87-4)
- Ethyl 2,4-dibromoquinoline-3-carboxylate (CAS 1000007-15-7)
- 5-Isopropyl-6-methyl-2-phenylpyrimidin-4(1H)-one (CAS 61442-45-3)
- 2-(3-Fluorophenyl)nicotinic acid (CAS 1214365-08-8)
- 4-(2-Bromoethyl)-N,N-dimethylaniline (CAS 56153-01-6)
- 1-(2-((2-Chlorophenyl)amino)-4-methylthiazol-5-yl)ethan-1-one (CAS 883265-08-5)
- 1216475-83-0 Ethyl Isobutyrylacetate-d6 (CAS 1216475-83-0)
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- 8-(3-Bromophenyl)-1,4-dioxa-8-azaspiro[4.5]decane (CAS 1057281-16-9)
- (S)-3-(((Benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutane-1-sulfonic acid (CAS 255737-47-4)
- Neuropeptide SF (human) (CAS 192387-39-6)
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