3-((4-Fluorophenyl)thio)butanoic acid CAS 259544-93-9
| CAS No. | 259544-93-9 |
| Molecular Formula | C10H11FO2S |
| Molecular Weight | 214.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 3-((4-Fluorophenyl)thio)butanoic acid (C10H11FO2S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
3-((4-Fluorophenyl)thio)butanoic acid (CAS 259544-93-9), molecular formula C10H11FO2S and molecular weight 214.26 g/mol, is a CATO reference standard with documented purity and traceability.
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.
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 | C10H11FO2S |
| Molecular Weight | 214.26 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; 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.) | 2025 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related Fluorophenyl Standards
- 3-[(4-fluorophenyl)sulfanyl]-2-methylpropanoic acid (CAS 1153836-03-3)
- 1-(4-Fluorophenyl)-2-((2-hydroxyethyl)thio)ethan-1-one (CAS 1157307-35-1)
- 1-((3-Fluorophenyl)thio)-3-methoxypropan-2-one (CAS 1506947-31-4)
- 1-((4-Fluorophenyl)thio)-3-methoxypropan-2-one (CAS 1513400-99-1)
- 4-[(4-Fluorophenyl)sulfanyl]butanoic acid (CAS 18850-56-1)
- 3-[(4-fluorophenyl)sulfanyl]propanehydrazide (CAS 851169-59-0)
- Ethyl 2-((4-fluorophenyl)thio)acetate (CAS 78066-05-4)
- (3-fluorophenyl)(3-methylphenyl)methanone (CAS 864087-22-9)
Recommended Standards
- 3-((4-Fluorobenzyl)thio)propanoic acid (CAS 23912-15-4)
- 3-((Ethylimino)methyl)-7-methylquinolin-2(1H)-one (CAS 573974-93-3)
- 2-Pyrrolidin-1-ylquinolin-8-ol (CAS 941868-37-7)
- 3-(1,2,3,6-Tetrahydropyridin-4-yl)-1H-indole (CAS 65347-55-9)
- 2-[5-amino-3-(3-chlorophenyl)-1h-pyrazol-1-yl]ethan-1-ol (CAS 956230-20-9)
- Methyl (1S,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate hydrochloride (CAS 79200-54-7)
- 2-(3-fluorocyclobutyl)acetyl fluoride (CAS 1936094-04-0)
- 4-Chloro-6-isopropyl-2-methylquinoline (CAS 1156277-03-0)
- 4-(2-Oxo-2-phenylacetyl)benzoic acid (CAS 72857-25-1)
- 3-(2-Oxopyrrolidin-1-yl)benzonitrile (CAS 939999-23-2)
- N-(4-Chloro-2-methoxy-5-methylphenyl)-2-((5-(pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 477318-74-4)
- Indole-3-acetyl-L-alanine Acid Methyl Ester (CAS 109708-25-0)
- Methyl 3-(2,4-difluorophenyl)-3-methyloxirane-2-carboxylate (CAS 1467430-12-1)
- Tirzepatide Impurity 61 (CAS CATO-C4X-324061)
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