3-Bromo-4-(methylsulfonyl)benzoic acid CAS 39058-84-9
| CAS No. | 39058-84-9 |
| Molecular Formula | C8H7BrO4S |
| Molecular Weight | 279.11 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.
3-Bromo-4-(methylsulfonyl)benzoic acid (CAS 39058-84-9) is a high-purity analytical reference standard with the molecular formula C8H7BrO4S and a molecular weight of 279.11 g/mol.
Structurally, 3-Bromo-4-(methylsulfonyl)benzoic acid (C8H7BrO4S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 279.11 g/mol, it falls into the medium-molecular-weight range. 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.
Physical & Chemical Properties
| Molecular Formula | C8H7BrO4S |
| Molecular Weight | 279.11 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1968 |
| Halogen Content | Br-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
- 2-Fluoro-N-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CAS 2222333-26-6)
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- 2-Fluoro-n-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CAS 2377607-34-4)
- 5-Fluoro-N-methyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CAS 2377611-28-2)
- 2-(1-Morpholinocyclopentyl)acetic acid (CAS 1315449-53-6)
- 2-(Methoxycarbonyl)-4-methylbenzoic acid (CAS 344309-14-4)
- 1-(2-Amino-3,5-dibromophenyl)-2-chloroethan-1-ol (CAS 866154-68-9)
- ((1R,7AS)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ethylcarbamate (CAS 78472-04-5)
- 4-Chloro-2-[(cyclopropylmethyl)aminocarbonyl]pyridine (CAS 417723-53-6)
- (R)-3-((3-Chlorobenzyl)oxy)pyrrolidine hydrochloride (CAS 1264035-27-9)
- 3-(5-Formylimidazo[2,1-b]thiazol-6-yl)benzonitrile (CAS 860788-32-5)
- 1-(Cyclopentylmethyl)-1H-pyrazole-4-carboxylic Acid (CAS 1216111-78-2)
- Acid-PEG7-t-butyl ester (CAS 2134235-86-0)
- Liraglutide Impurity 26 (CAS CATO-C4X-199226)
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