2-(3-Bromobenzenesulfonyl)acetic acid CAS 3937-93-7
| CAS No. | 3937-93-7 |
| Molecular Formula | C8H7BrO4S |
| Molecular Weight | 279.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 279.11 g/mol gives 2-(3-Bromobenzenesulfonyl)acetic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-(3-Bromobenzenesulfonyl)acetic acid (CAS 3937-93-7), molecular formula C8H7BrO4S and molecular weight 279.11 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2-(3-Bromobenzenesulfonyl)acetic acid (C8H7BrO4S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | 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.) | 1958 |
| Halogen Content | Br-containing |
| Sulfur Atoms | 1 |
Related Bromobenzenesulfonyl Standards
- N-(2-bromobenzenesulfonyl)acetamide (CAS 1249719-17-2)
- N-(4-bromobenzenesulfonyl)acetamide (CAS 152675-32-6)
- 4-P-bromobenzenesulfonyl chloride (CAS 139937-37-4)
- 2-(4-Bromobenzenesulfonyl)-2-methylpropanenitrile (CAS 1178187-96-6)
- 2-(4-Bromobenzenesulfonyl)-2-methylpropan-1-amine (CAS 1235438-92-2)
- 2-(3-Bromobenzenesulfonyl)ethanol (CAS 1021169-75-4)
- 3-(3-Bromobenzenesulfonyl)propanoic acid (CAS 1521854-24-9)
- 3-(4-Bromobenzenesulfonyl)propanoic acid (CAS 200643-57-8)
Recommended Standards
- 1-(2-Amino-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanone (CAS 2415255-61-5)
- 2-[(4-bromobenzene)sulfonyl]acetic acid (CAS 3406-73-3)
- (3-(Cyclohexyl(methyl)carbamoyl)-4-fluorophenyl)boronic acid (CAS 2096331-95-0)
- 2-Bromo-5-methanesulfonylbenzoic acid (CAS 22361-59-7)
- 3-{4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutan-1-ol (CAS 1770824-36-6)
- DI-tert-butyl 2,2'-(1,4-dioxo-3,6-diphenylpyrrolo[3,4-c]pyrrole-2,5(1h,4h)-diyl)diacetate (CAS 1669409-49-7)
- 2-amino-5-(morpholin-4-yl)benzoic acid dihydrochloride (CAS 1909309-15-4)
- N-(4-Biphenylyl)-4’-isopropylbiphenyl-4-amine (CAS 2102307-30-0)
- Propargyl-PEG6-Boc (CAS 1355197-95-3)
- 2-Propenoic acid, 2-hydroxyethyl ester, polymer with 1,3-butadiene and 2-propenenitrile (CAS 57693-55-7)
- Nickel(II) allylcarbamodithioate (CAS 121632-24-4)
- Tiospirone-d8 (hydrochloride) (CAS 1794760-48-7)
- deuteriooxymethylbenzene (CAS 14915-25-4)
- Peptide Impurity 40 (CAS CATO-CPTD788840)
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