1-((4-Bromophenyl)thio)-3,3-dimethylbutan-2-one CAS 379704-91-3
| CAS No. | 379704-91-3 |
| Molecular Formula | C12H15BrOS |
| Molecular Weight | 287.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
1-((4-Bromophenyl)thio)-3,3-dimethylbutan-2-one (CAS 379704-91-3), molecular formula C12H15BrOS and molecular weight 287.22 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1-((4-Bromophenyl)thio)-3,3-dimethylbutan-2-one (C12H15BrOS) is characterized by sulfur-containing functionality, a hydroxyl group, an ether linkage, 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 high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
As a certified reference material (CRM), 1-((4-Bromophenyl)thio)-3,3-dimethylbutan-2-one 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 | C12H15BrOS |
| Molecular Weight | 287.22 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Sulfur Atoms | 1 |
Related Bromophenyl Standards
- 1-((2-Bromophenyl)thio)-3,3-dimethylbutan-2-one (CAS 1152622-42-8)
- 1-(3-Bromophenyl)-2-(tert-butylthio)ethan-1-one (CAS 1152625-72-3)
- 1-(2-Bromophenyl)-2-(tert-butylthio)ethan-1-one (CAS 1152630-75-5)
- 1-(3-Bromophenyl)-2-(butylthio)ethan-1-one (CAS 1152669-46-9)
- 1-(4-Bromophenyl)-2-(sec-butylthio)ethan-1-one (CAS 1154281-59-0)
- 1-(3-Bromophenyl)-2-(isobutylthio)ethan-1-one (CAS 1154281-86-3)
- 1-(2-Bromophenyl)-2-(isobutylthio)ethan-1-one (CAS 1154282-03-7)
- 1-(2-Bromophenyl)-2-(sec-butylthio)ethan-1-one (CAS 1154958-82-3)
Recommended Standards
- 4-(5-Carboxypyridin-2-yl)isophthalic acid (CAS 1887226-19-8)
- 1-(2-Bromo-4-isopropylphenyl)-3-methylthiourea (CAS 2197054-84-3)
- 5-Bromo-N-(2,2-dimethylthietan-3-yl)-4-methylpyridin-2-amine (CAS 1872518-96-1)
- 1-(4-Bromophenyl)-2-(tert-butylthio)ethan-1-one (CAS 84358-85-0)
- N-((tetrahydrofuran-2-yl)methyl)heptan-4-amine (CAS 1021084-33-2)
- 5-Methoxy-2-(propylamino)benzoic acid (CAS 1315366-51-8)
- 2-Chloro-6-iodoisonicotinaldehyde (CAS 1289107-45-4)
- 2-Methoxy-6-(((4-(trifluoromethoxy)phenyl)amino)methyl)phenol (CAS 306730-45-0)
- Methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-1H-pyrazole-5-carboxylate (CAS 89088-54-0)
- 6-(Benzyloxy)-2,3-dihydrobenzofuran-3-amine (CAS 944899-96-1)
- 2,4,6-Triiodoaniline (CAS 24154-37-8)
- Ethyl (3R,4S,5R)-5-(di-2-propen-1-ylamino)-3-(1-ethylpropoxy)-4-hydroxy-1-cyclohexene-1-carboxylate (CAS 2254819-30-0)
- 4-(((Diethoxyphosphoryl)methyl)imino)butyl acetate (CAS 60671-39-8)
- Tirzepatide Impurity 51 (CAS CATO-C4X-324051)
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