4-Bromo-1-fluoro-2-(methylsulphonyl)benzene CAS 914636-38-7
| CAS No. | 914636-38-7 |
| Molecular Formula | C7H6BrFO2S |
| Molecular Weight | 253.09 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-Bromo-1-fluoro-2-(methylsulphonyl)benzene (CAS 914636-38-7), molecular formula C7H6BrFO2S and molecular weight 253.09 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-Bromo-1-fluoro-2-(methylsulphonyl)benzene (C7H6BrFO2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 253.09 g/mol, it falls into the medium-molecular-weight range. 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 | C7H6BrFO2S |
| Molecular Weight | 253.09 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Br-containing |
| Sulfur Atoms | 1 |
Related Bromo Standards
- 1-Bromo-2-fluoro-4-(methylsulfonyl)benzene (CAS 1032825-02-7)
- 2-Bromo-4-fluoro-1-(methylsulfonyl)benzene (CAS 1039744-23-4)
- 2-Bromo-1-(5-methyl-1-benzofuran-2-yl)ethan-1-one (CAS 1178862-94-6)
- 1-Bromo-3-fluoro-5-(methylsulfonyl)benzene (CAS 1207970-78-2)
- 2-Bromo-1-(2-methylbenzofuran-3-yl)ethanone (CAS 124617-51-2)
- 5-Bromo-7-ethyl-2-formyl-benzofuran (CAS 137206-73-6)
- 1-Bromo-3-fluoromethanesulfonylbenzene (CAS 1394022-50-4)
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Recommended Standards
- 3-Bromo-6-ethyl-4H-chromen-4-one (CAS 288399-50-8)
- 4-bromo-1H,1aH,6H,6aH-cyclopropa[a]indene-1-carboxylic acid (CAS 2059941-40-9)
- 3-Bromo-6,7-dimethyl-4H-chromen-4-one (CAS 73220-36-7)
- 4-Bromo-2-fluoro-1-(methylsulfonyl)benzene (CAS 648904-84-1)
- N1-Methyl-N1-(thiazol-5-ylmethyl)ethane-1,2-diamine (CAS 1353983-79-5)
- [NH2Me2][(RuCl((R)-xylbinap))2(mu-Cl)3] (CAS 944451-08-5)
- Methyl 3-formyl-5-(trifluoromethyl)benzoate (CAS 959632-17-8)
- 2,2,2-Trichloro-1-(4-(4-(trifluoromethyl)benzoyl)-1H-pyrrol-2-yl)ethan-1-one (CAS 241146-98-5)
- N-(cyclohexylmethyl)pivalamide (CAS 1197966-23-6)
- [5-(Trifluoromethyl)-1,3-thiazol-2-yl]methanamine (CAS 1211532-33-0)
- 1-Benzyl-2,5-dimethyl-1H-indole-3-carbaldehyde (CAS 1228552-95-1)
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- 2′-O-(2-Methoxyethyl)guanosine (CAS 473278-54-5)
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