4-{[(2-Fluorophenyl)(methylsulfonyl)amino]methyl}benzoic acid CAS 1858251-51-0
| CAS No. | 1858251-51-0 |
| Molecular Formula | C15H14FNO4S |
| Molecular Weight | 323.34 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 4-{[(2-Fluorophenyl)(methylsulfonyl)amino]methyl}benzoic acid.
4-{[(2-Fluorophenyl)(methylsulfonyl)amino]methyl}benzoic acid (CAS 1858251-51-0), molecular formula C15H14FNO4S and molecular weight 323.34 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-{[(2-Fluorophenyl)(methylsulfonyl)amino]methyl}benzoic acid (C15H14FNO4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 323.34 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C15H14FNO4S |
| Molecular Weight | 323.34 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Fluorophenyl Standards
- ((4-Fluorophenyl)sulfonyl)phenylalanine (CAS 40279-96-7)
- 2,2-Bis(4-fluorophenyl)-2-phenylacetamide (CAS 289656-45-7)
- Ethyl 4-((4-fluorophenyl)sulfonamido)benzoate (CAS 349402-78-4)
- n-(2-Fluorophenyl)-N-tosylglycine (CAS 358393-50-7)
- N-(3-Fluorophenyl)-3,4-dihydro-2H-benzo[b][1,4]dioxepine-7-sulfonamide (CAS 942006-95-3)
- N-(4-fluorophenyl)-N-tosylglycine (CAS 333456-97-6)
- 4-(5-(3-Fluorophenyl)-1,2,4-oxadiazol-3-yl)-1-phenylpyrrolidin-2-one (CAS 1171678-38-8)
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Recommended Standards
- 1-(((9H-fluoren-9-yl)methoxy)carbonyl)azetidine-2-carboxylic acid (CAS 184763-07-3)
- tert-butyl 4-(4-hydroxy-2-nitrophenyl)piperazine-1-carboxylate (CAS 1881327-94-1)
- O1-(9H-fluoren-9-ylmethyl) O2-methyl (2R)-aziridine-1,2-dicarboxylate (CAS 1831058-97-9)
- Fmoc-azetidine-3-carboxylic acid (CAS 193693-64-0)
- 2-Chloro-N-(2,4-dimethoxyphenyl)nicotinamide (CAS 158094-17-8)
- (R)-2-Amino-2-hydroxy-3-(1H-imidazol-4-yl)propanoic acid (CAS 757243-24-6)
- (S)-2-(Azetidin-2-yl)-N,N-dimethylacetamide hydrochloride (CAS 1956434-56-2)
- 1-(3-Fluorobenzyl)indoline-2,3-dione (CAS 689757-49-1)
- 5-Hydroxy-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-2-one (CAS 405921-10-0)
- 2-(((Benzyloxy)carbonyl)amino)-3-(oxetan-3-yl)propanoic acid (CAS 2306263-41-0)
- 7,8,8-Trimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-4,7-methanoindazole-3-carboxylic acid (CAS 326021-49-2)
- (5-(4-Methylpiperazin-1-yl)thiophen-2-yl)boronic acid (CAS 2225175-52-8)
- 29658-26-2 Methanone, bis(4-fluorophenyl)-, polymer with 1,4-benzenediol 4,4'-Difluorobenzophenone, hydroquinone polymer (CAS 29658-26-2)
- Endo-38a-Pro-Exenatide trifluoroacetate salt (CAS 1678416-95-9)
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