(2-((4-Bromobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(5-bromofuran-2-yl)methanone CAS 851800-88-9
| CAS No. | 851800-88-9 |
| Molecular Formula | C15H12Br2N2O2S |
| Molecular Weight | 444.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
(2-((4-Bromobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(5-bromofuran-2-yl)methanone (CAS 851800-88-9) is a high-purity analytical reference standard with the molecular formula C15H12Br2N2O2S and a molecular weight of 444.14 g/mol.
(2-((4-Bromobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(5-bromofuran-2-yl)methanone (C15H12Br2N2O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. It is notably hygroscopic, 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.
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.
Physical & Chemical Properties
| Molecular Formula | C15H12Br2N2O2S |
| Molecular Weight | 444.14 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Bromobenzyl Standards
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- 4-(2-Bromobenzyl)-1-(phenylsulfonyl)piperidine-4-carboxylic acid (CAS 1171661-56-5)
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Recommended Standards
- 4-(2,4-dinitrophenoxy)-3-iodo-5-methoxybenzaldehyde (CAS 792947-74-1)
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- Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid (CAS 29311-67-9)
- 4-(4-Bromophenyl)-2-[(4-bromophenyl)sulfanyl]-4-oxobutanoic acid (CAS 301193-64-6)
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- 2-(Tert-butoxy)-5-iodoaniline (CAS 1369815-09-7)
- 2-(2-((Trifluoromethyl)thio)phenyl)acetic acid (CAS 239080-01-4)
- 2-(Bromomethyl)-1-chloro-4-iodobenzene (CAS 793695-85-9)
- (2-Fluorophenyl)(pyridin-4-yl)methanone (CAS 193359-51-2)
- (1R)-1-(3,4-Dimethoxyphenyl)-4-hydroxy-2-cyclohexene-1-ethanol 1-(4-Methylbenzenesulfonate) (CAS 866394-50-5)
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- 2,3-Difluoro-5-sulfamoylbenzoic acid (CAS 716361-75-0)
- N-(5-Chloro-2,3-dihydrobenzofuran-3-yl)-2-(piperidin-1-yl)acetamide (CAS 105801-53-4)
- Glucagon (1-29) (CAS 16941-32-5)
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