3-chloro-4-(fluorosulfonyl)benzoic acid CAS 33866-05-6
| CAS No. | 33866-05-6 |
| Molecular Formula | C7H4ClFO4S |
| Molecular Weight | 238.62 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-chloro-4-(fluorosulfonyl)benzoic acid (C7H4ClFO4S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
3-chloro-4-(fluorosulfonyl)benzoic acid (CAS 33866-05-6) is a high-purity analytical reference standard with the molecular formula C7H4ClFO4S and a molecular weight of 238.62 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C7H4ClFO4S |
| Molecular Weight | 238.62 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, water |
| 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.) | 1966 |
| Halogen Content | F/Cl-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 4-Chloro-3-(fluorosulfonyl)benzoic acid (CAS 2494-80-6)
- 2-(1-Methyl-1h-imidazol-5-yl)-2-(pyrrolidin-1-yl)ethan-1-amine (CAS 1491673-90-5)
- Eltrombopag Impurity 41 (CAS 303730-26-9)
- 1-(Phenylsulfonyl)piperidin-4-one O-(4-chlorobenzoyl) oxime (CAS 477847-24-8)
- Zinc cyanide-<SUP>13</SUP>C<SUB>2</SUB> (CAS 1481693-23-5)
- 3-Isopropyl-5-methylpyrazin-2-ol (CAS 820250-48-4)
- 2-Morpholino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one (CAS 1171618-88-4)
- 4-(Benzenesulfonyl)-3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-methyl-1,2-oxazolidine (CAS 339110-42-8)
- N-(thiophen-2-ylmethyl)prop-2-yn-1-amine (CAS 53175-36-3)
- Palladium, dichlorobis(morpholine-N4)- (9CI) (CAS 183184-25-0)
- Semaglutide impurity 38 (CAS CATO-C4X-222638)
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