[(Trichloromethyl)sulfonyl]benzene CAS 42764-08-9
| CAS No. | 42764-08-9 |
| Molecular Formula | C7H5Cl3O2S |
| Molecular Weight | 259.54 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.
[(Trichloromethyl)sulfonyl]benzene (CAS 42764-08-9), molecular formula C7H5Cl3O2S and molecular weight 259.54 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, [(Trichloromethyl)sulfonyl]benzene (C7H5Cl3O2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine 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 259.54 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.
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.
Physical & Chemical Properties
| Molecular Formula | C7H5Cl3O2S |
| Molecular Weight | 259.54 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.) | 1969 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
Related Trichloromethyl Standards
- 4-Methyl-2-(trichloromethyl)quinoline (CAS 203626-79-3)
- 4-(Trichloromethyl)benzoyl chloride (CAS 14815-86-2)
- 1-Phenyl-3-(trichloromethyl)-1H-pyrazole (CAS 83959-41-5)
- 1-(Trichloromethyl)-4-(trifluoromethyl)benzene (CAS 13947-96-1)
- 1-(Trichloromethyl)-2-(trifluoromethyl)benzene (CAS 651-36-5)
- 3-phenyl-5-(trichloromethyl)-1,2,4-oxadiazole (CAS 1208-05-5)
- 2-(Trichloromethyl)-3,4-dihydroquinazolin-4-one (CAS 5558-95-2)
- 3-(Trichloromethyl)quinoxalin-2-ol (CAS 73855-49-9)
Recommended Standards
- (3,4-Dichlorophenyl)methanesulfonyl Chloride (CAS 85952-30-3)
- 2,3-Dichloro-5-methylbenzenesulfonyl chloride (CAS 871876-53-8)
- (2,6-Dichlorophenyl)methanesulfonyl chloride (CAS 85952-31-4)
- 2,4-Dichloro-3-methylbenzene-1-sulfonyl chloride (CAS 69145-58-0)
- 2,3,4,6-Tetrafluorobenzoic acid (CAS 32890-92-9)
- 3-(propan-2-yloxy)pyridine-2-carbonitrile (CAS 1394957-41-5)
- (1R,8aR)-octahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid (CAS 2165528-98-1)
- (R)-phenyl((S)-pyrrolidin-2-yl)methanol hydrochloride (CAS 111492-62-7)
- Boc-Aminooxy-PEG3-thiol (CAS 1895922-75-4)
- 2-(Chloromethyl)-4-(difluoromethyl)-5-iodopyridine (CAS 1805318-32-4)
- 3,6-Dicyclopropyl-1-(2-fluorophenyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS 1018164-66-3)
- 6-(Benzyl(methyl)amino)-2-methylnicotinic acid (CAS 1355174-85-4)
- 2-[2-Fluoro-4-(4-methylpiperazino)phenyl]-1,3-dioxolane (CAS 1346597-60-1)
- Bax inhibitor peptide V5 (CAS 579492-81-2)
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