2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid CAS 329080-00-4
| CAS No. | 329080-00-4 |
| Molecular Formula | C16H12BrClO3S |
| Molecular Weight | 399.69 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid (CAS 329080-00-4), molecular formula C16H12BrClO3S and molecular weight 399.69 g/mol, is a CATO reference standard with documented purity and traceability.
2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid (C16H12BrClO3S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine/bromine substitution, a polycyclic aromatic system. 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid 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 | C16H12BrClO3S |
| Molecular Weight | 399.69 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl/Br-containing |
| Sulfur Atoms | 1 |
Related Bromophenyl Standards
- 4-(4-Bromophenyl)-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid (CAS 306730-10-9)
- 1-((4-Bromophenyl)sulfonyl)-5-(chlorodifluoromethyl)-2,3-dihydro-1H-1,4-diazepine (CAS 477848-82-1)
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- (2E)-3-(4-Bromophenyl)-2-[2-(3,5-dichlorophenyl)hydrazin-1-ylidene]-3-oxopropanal (CAS 338414-05-4)
- N4-(2-Bromophenyl)-N2-(2-ethylhexyl)-L-asparagine (CAS 1048001-65-5)
- 2-(2-Bromophenyl)-5-((2,6-dimethylpiperidin-1-yl)methyl)benzo[d]oxazole (CAS 1706442-48-9)
- 2-(3-Bromophenyl)-5-((2,6-dimethylpiperidin-1-yl)methyl)benzo[d]oxazole (CAS 1706443-49-3)
- 2-(2-Bromophenyl)-5-((3,5-dimethylpiperidin-1-yl)methyl)benzo[d]oxazole (CAS 1706449-19-5)
Recommended Standards
- (E)-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(3-(trifluoromethyl)benzoyl) oxime (CAS 318284-52-5)
- (7-Chloro-2-(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[d]oxazol-5-yl)methanol (CAS 2230904-26-2)
- 4-(((5-Bromothiophen-2-yl)methylene)amino)-3-(2-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 478254-55-6)
- Vitamin D2-d3 (CAS 1217448-46-8)
- (S)-2-(Sulfoamino)succinic acid (CAS 100466-76-0)
- 3-[(3-Bromo-4-Methoxyphenyl)Methyl]-5-Fluoro-1H-Pyrimidine-2,4-Dione (CAS 102613-16-1)
- (S)-2-(1-aminoethyl)-5-methylphenol (CAS 1213532-58-1)
- 2-[(3,4-Dichlorobenzyl)oxy]-3-methoxybenzoic acid (CAS 938274-94-3)
- Methyl 6-chloro-3-methyl-2-phenyl-4-quinolinecarboxylate (CAS 882747-33-3)
- 2-[4-(3-oxobutyl)phenoxy]acetic acid (CAS 926206-19-1)
- 3-Methyl-6,7-dihydro-5H-thiazolo[3,2-a]pyrimidine-2-carboxylic acid (CAS 682327-09-9)
- 6-Methanesulfonyl-3,4-dihydro-2h-1,4-benzoxazin-3-one (CAS 459190-08-0)
- n-Isobutyl-1-methylhydrazine-1-carbothioamide (CAS 858481-11-5)
- Semaglutide impurity 65 (CAS CATO-C4X-222665)
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