2-[(4-Fluorobenzyl)thio]nicotinic acid CAS 460736-49-6
| CAS No. | 460736-49-6 |
| Molecular Formula | C13H10FNO2S |
| Molecular Weight | 263.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-[(4-Fluorobenzyl)thio]nicotinic acid (CAS 460736-49-6), molecular formula C13H10FNO2S and molecular weight 263.29 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-[(4-Fluorobenzyl)thio]nicotinic acid (C13H10FNO2S) contains a nitrogen-containing heterocyclic scaffold, 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 263.29 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
As a certified reference material (CRM), 2-[(4-Fluorobenzyl)thio]nicotinic 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 | C13H10FNO2S |
| Molecular Weight | 263.29 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Fluorobenzyl Standards
- 1-ethyl-4-[(4-fluorobenzyl)amino]-1H-pyrazole-3-carboxylic acid (CAS 1006956-59-7)
- Ethyl 1-(4-fluorobenzyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate (CAS 885950-26-5)
- 1-((4-Fluorobenzyl)oxy)-2-oxo-1,2-dihydropyridine-3-carboxylic acid (CAS 1226083-56-2)
- 5-[(2-Fluorobenzyl)oxy]-4-oxo-4H-pyran-2-carboxylic Acid (CAS 1040349-01-6)
- 2-(4-Fluorobenzyl)-2,8-diazaspiro[4.5]decan-3-one (CAS 1501339-20-3)
- 2-((3-Fluorobenzyl)thio)benzoic acid (CAS 385383-44-8)
- 2-((4-Fluorobenzyl)thio)benzoic acid (CAS 329063-99-2)
- 2-(4-Fluorobenzyl)-6,7-dihydro-5H-thiazolo[3,2-a]pyrimidin-3(2H)-one (CAS 1049144-01-5)
Recommended Standards
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- 2-(p-Tolyl)quinoline-4-carboxylic acid, 97% (CAS 20389-05-3)
- 2-[2-(Morpholin-4-yl)ethyl]-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-3-one (CAS 860611-77-4)
- (1S,2R)-2-(Cyclohexylamino)-1,2-diphenylethan-1-ol (CAS 142452-42-4)
- tert-butyl 2-(hydroxymethyl)-4-methoxy-2-methylpyrrolidine-1-carboxylate (CAS 2059933-77-4)
- 2-(4-Oxopyrazolo[1,5-a]pyrazin-5(4H)-yl)acetic acid (CAS 1564870-55-8)
- tert-Butyl ((1-((5-bromothiophen-2-yl)sulfonyl)piperidin-3-yl)methyl)carbamate (CAS 1261234-60-9)
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- [β-Asp]9-Semaglutide (CAS CATO-CPTD788605)
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