3-Bromo-4-(methylsulfanyl)benzoic acid CAS 58123-71-0
| CAS No. | 58123-71-0 |
| Molecular Formula | C8H7BrO2S |
| Molecular Weight | 247.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C8H7BrO2S, 3-Bromo-4-(methylsulfanyl)benzoic acid contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 247.11 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
3-Bromo-4-(methylsulfanyl)benzoic acid (CAS 58123-71-0), molecular formula C8H7BrO2S and molecular weight 247.11 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.
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 | C8H7BrO2S |
| Molecular Weight | 247.11 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1973 |
| Halogen Content | Br-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
- 3-Bromo-2-(methylthio)benzoic acid (CAS 503821-96-3)
- 3-Bromo-5-(methylthio)benzoic acid (CAS 453566-00-2)
- 2-Bromo-5-cyclopropylthiophene-3-carboxylic acid (CAS 2091719-00-3)
- 4-Bromo-1,3-dihydrobenzo[c]thiophene 2,2-dioxide (CAS 58401-27-7)
- 6-Methoxy-4-methyl-2-phenylquinazoline-5,8-dione (CAS 61416-94-2)
- 4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-2-phenylpyrimidine (CAS 1092344-48-3)
- 5-(2,4-Dimethylphenyl)-1H-pyrazol-3-amine (CAS 416860-45-2)
- 2,6-dimethyl-4-(piperidin-4-yl)morpholine (CAS 551923-15-0)
- Demeton-O (CAS 298-03-3)
- N-(tert-Butyl)-2-(2-formyl-4-methylphenoxy)acetamide (CAS 1406801-42-0)
- 4-Amino-6-isopropyl-1-methyl-1,3,5-triazin-2(1H)-one (CAS 175204-74-7)
- 1H-Carbazole-1,4(9H)-dione (CAS 70377-05-8)
- Ethyl 5-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4,5-dihydrofuran-2-carboxylate (CAS 37781-57-0)
- Des-Phe22-Tirzepatide (CAS CATO-CPTD788951)
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