1-((Difluoromethyl)sulfonyl)-4-methylbenzene CAS 4837-17-6
| CAS No. | 4837-17-6 |
| Molecular Formula | C8H8F2O2S |
| Molecular Weight | 206.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
1-((Difluoromethyl)sulfonyl)-4-methylbenzene (CAS 4837-17-6), molecular formula C8H8F2O2S and molecular weight 206.21 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, 1-((Difluoromethyl)sulfonyl)-4-methylbenzene is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 206.21 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C8H8F2O2S |
| Molecular Weight | 206.21 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.) | 1958 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related Difluoromethyl Standards
- Ethyl 5-(difluoromethyl)thiophene-2-carboxylate (CAS 1575820-69-7)
- Ethyl 5-(difluoromethyl)thiophene-3-carboxylate (CAS 189331-48-4)
- Difluoromethyl 3-methylphenyl sulphone (CAS 4837-16-5)
- 2-(Difluoromethyl)naphthalene-7-carboxaldehyde (CAS 1261661-02-2)
- 1-(Difluoromethyl)naphthalene-4-carboxaldehyde (CAS 1261871-64-0)
- 2-(Difluoromethyl)naphthalene-3-carboxaldehyde (CAS 1261871-66-2)
- 4-(Difluoromethyl)-2-phenylpyrimidine (CAS 1261885-09-9)
- 1-(Difluoromethyl)naphthalene-3-carboxaldehyde (CAS 1261885-69-1)
Recommended Standards
- (3-Fluoro-5-methylfuran-2-yl)(phenyl)methanol (CAS 944686-34-4)
- 1,2-Difluoro-3-((methylsulfonyl)methyl)benzene (CAS 261924-31-6)
- 1,2-Difluoro-4-((methylsulfonyl)methyl)benzene (CAS 886498-01-7)
- 2,2-Difluoro-1-(5-Methyl-2-Furyl)-2-(Methylsulfanyl)Ethanone (CAS 170654-37-2)
- 2-(4-(Piperazin-1-yl)phenyl)benzo[d]oxazole (CAS 885275-02-5)
- 2-Bromo-5-(4-methoxyphenoxy)-1,3,4-thiadiazole (CAS 946884-40-8)
- 4-Hydroxy-2,6-bis(4-nitrophenyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide (CAS 2129645-31-2)
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- 2,3-Dimercaptopropane-1-sulfonic acid (CAS 74-61-3)
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