S-(4-Fluorophenyl)mercapturic Acid CAS 331-93-1
| CAS No. | 331-93-1 |
| Molecular Formula | C11H12FNO3S |
| Molecular Weight | 257.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including S-(4-Fluorophenyl)mercapturic Acid.
S-(4-Fluorophenyl)mercapturic Acid (CAS 331-93-1) is a high-purity analytical reference standard with the molecular formula C11H12FNO3S and a molecular weight of 257.28 g/mol.
S-(4-Fluorophenyl)mercapturic Acid (C11H12FNO3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), S-(4-Fluorophenyl)mercapturic Acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C11H12FNO3S |
| Molecular Weight | 257.28 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, 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; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related S Standards
- 6-((4-Fluorophenyl)sulfonyl)-2-oxa-6-azaspiro[3.3]Heptane (CAS 1227384-86-2)
- 5-(3-Fluorophenyl)-1-oxo-1λ4-thiomorpholine-3-carboxylic acid (CAS 1560915-38-9)
- 1-[(4-Fluorophenyl)sulfonyl]piperidin-4-one (CAS 216983-39-0)
- 2-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)propanoic acid (CAS 757220-99-8)
- 1-(6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine (CAS 1284982-59-7)
- N-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CAS 606136-00-9)
- 5-{[(3-fluorophenyl)methyl]amino}-2,3-dihydro-1h-1,3-benzodiazol-2-one (CAS 1042605-95-7)
- 4-(4-Fluorophenyl)-2-hydroxy-6-isopropylpyrimidine-5-carbonitrile (CAS 1092843-99-6)
Recommended Standards
- rel-tert-Butyl (3aR,6aS)-3a-(hydroxymethyl)-1-oxotetrahydro-1H-furo[3,4-c]pyrrole-5(3H)-carboxylate (CAS 2786775-08-2)
- Sodium (R)-1-(tert-butoxycarbonyl)pyrrolidine-3-sulfinate (CAS 2694069-58-2)
- rel-(3aS,6aS)-4-(tert-Butoxycarbonyl)hexahydro-2H-furo[3,2-b]pyrrole-5-carboxylic acid (CAS 2137432-64-3)
- Sodium (S)-1-(tert-butoxycarbonyl)pyrrolidine-3-sulfinate (CAS 2742630-77-7)
- 1-(1-(4-Bromophenyl)ethyl)-3-butylurea (CAS 1090588-40-1)
- 2-((3-Fluoro-4-methoxyphenyl)amino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide (CAS 1092829-93-0)
- 1-(Piperazin-1-yl)-2-(thiophen-3-yl)ethanone hydrochloride (CAS 1185316-81-7)
- Ethyl 5-(5-carbamoylpyrimidin-2-yl)pentanoate (CAS 1447607-12-6)
- Encorafenib Impurity 10 (CAS 1269440-78-9)
- 1365962-77-1 7-(4-Methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-amine MFCD22056542 (CAS 1365962-77-1)
- 4H-Cyclopenta[1,2-b:5,4-b']bis(selenophene) (CAS 2102528-53-8)
- 2-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline (CAS 40077-67-6)
- 4-(4-Chloro-3,5-dimethylphenyl)-4-oxobutanoic acid (CAS 1443324-65-9)
- D-Ile12-Tirzepatide (CAS CATO-CPTD788921)
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