4-(Fluorosulfonyl)-3-methylbenzoic acid CAS 33866-06-7
| CAS No. | 33866-06-7 |
| Molecular Formula | C8H7FO4S |
| Molecular Weight | 218.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 4-(Fluorosulfonyl)-3-methylbenzoic acid (C8H7FO4S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 218.20 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.
4-(Fluorosulfonyl)-3-methylbenzoic acid (CAS 33866-06-7), molecular formula C8H7FO4S and molecular weight 218.20 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C8H7FO4S |
| Molecular Weight | 218.20 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.) | 1966 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related Fluorosulfonyl Standards
- Methyl 3-(fluorosulfonyl)benzoate (CAS 124397-36-0)
- Methyl 4-(fluorosulfonyl)benzoate (CAS 124397-38-2)
- methyl 2-(fluorosulfonyl)benzoate (CAS 137654-46-7)
- 4-(fluorosulfonyl)-2-methylbenzoic acid (CAS 1934400-55-1)
- 2-[4-(fluorosulfonyl)phenyl]acetic acid (CAS 402-57-3)
- 3-(Fluorosulfonyl)-4-methylbenzoic acid (CAS 21322-93-0)
- 5-(Fluorosulfonyl)-2-methylbenzoic acid (CAS 21346-65-6)
- Methyl 2-(fluorosulfonyl)pyridine-4-carboxylate (CAS 2092076-18-9)
Recommended Standards
- 4-(2,4-Difluorophenyl)benzaldehyde (CAS 728918-75-0)
- 4-(Trifluoromethyl)benzo[d]thiazol-2-amine (CAS 60388-36-5)
- 3-Methylpentane-1,3,5-tricarboxylic acid (CAS 40530-20-9)
- 4-Fluoro-2-(methylsulfonyl)benzoic acid (CAS 943224-29-1)
- 1-Bromo-3-cyclopropyl-5,7-dimethyl-7,8-dihydroimidazo[1,5-a]pyrazin-6(5H)-one (CAS 2378307-66-3)
- Disoxaril (CAS 87495-31-6)
- 3-Amino-1h-indazol-6-ol (CAS 88805-72-5)
- 4,5,6,7-Tetrahydrobenzofuran-4-ol (CAS 84099-58-1)
- 1-(3,3-Dimethylbutanoyl)pyrrolidine-3-carboxylic acid hydrochloride (CAS 1837321-86-4)
- 2-(1H-Pyrazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine (CAS 1312942-18-9)
- (S)-2-(3-Carboxypropanamido)-4-methylpentanoic acid (CAS 65416-56-0)
- Norfloxacin Impurity 20 (CAS CATO-C4X-146820)
- 2-[(Anilinocarbonyl)amino]-1,3-thiazole-4-carboxylic acid (CAS 941869-61-0)
- Peptide 74 (H-8545.0500) (CAS 132116-39-3)
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