2-((Phenylthio)methyl)benzoic acid CAS 1699-03-2
| CAS No. | 1699-03-2 |
| Molecular Formula | C14H12O2S |
| Molecular Weight | 244.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, a polycyclic aromatic system, 2-((Phenylthio)methyl)benzoic acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 244.31 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
2-((Phenylthio)methyl)benzoic acid (CAS 1699-03-2) is a high-purity analytical reference standard with the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol.
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 | C14H12O2S |
| Molecular Weight | 244.31 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Sulfur Atoms | 1 |
Related Phenylthio Standards
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- 2-(4-(Phenylthio)phenyl)aceticacid (CAS 6317-61-9)
- 1-(4-Methyl-6-(phenylthio)pyridin-3-yl)ethan-1-amine (CAS 1355192-51-6)
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Recommended Standards
- 2-(Methylthio)-[1,1'-biphenyl]-3-carboxylic acid (CAS 168618-43-7)
- N-(o-Hydroxyphenyl)-N'-phenylthiourea (CAS 17073-34-6)
- tert-Butyl ((4-(hydroxymethyl)thiazol-2-yl)methyl)carbamate (CAS 165667-51-6)
- 3-(3-Hydroxyphenyl)-1-Phenylthiourea (CAS 17073-35-7)
- tert-butyl octahydro-1H-pyrrolo[3,2-e][1,4]oxazepine-1-carboxylate (CAS 2167663-28-5)
- 2-(4-Nitrophenoxy)ethylamine Hydrochloride (CAS 98395-62-1)
- 1,2-Bis(difluoromethoxy)benzene (CAS 27691-14-1)
- rel-4-[(3R,5R)-3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-5-methyl-1-cyclohexen-1-yl]-3-nitropyridine (CAS 1187055-97-5)
- (4-Chloro-3-fluorophenyl)(5-methylthiophen-2-yl)methanol (CAS 1443328-78-6)
- 4-(2H-1,2,3-Triazol-2-yl)benzenemethanol (CAS 449211-78-3)
- 3-(2,6-Dioxotetrahydro-2H-pyran-3-yl)propanoic acid (CAS 40550-18-3)
- Relebactam Impurity 39 (CAS CATO-C4X-214439)
- N-(4-benzamidobutyl)benzamide (CAS 31991-78-3)
- Des-Ala21-Tirzepatide (CAS CATO-CPTD788952)
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