Methyl 3-[4-(methylsulfanyl)phenyl]-5-(trifluoromethyl)benzoate CAS 1820716-50-4
| CAS No. | 1820716-50-4 |
| Molecular Formula | C16H13F3O2S |
| Molecular Weight | 326.33 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 Methyl 3-[4-(methylsulfanyl)phenyl]-5-(trifluoromethyl)benzoate.
CATO supplies Methyl 3-[4-(methylsulfanyl)phenyl]-5-(trifluoromethyl)benzoate (CAS 1820716-50-4), a certified reference material (molecular formula C16H13F3O2S, MW 326.33 g/mol) for analytical method development and quality control.
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system, Methyl 3-[4-(methylsulfanyl)phenyl]-5-(trifluoromethyl)benzoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 326.33 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
As a certified reference material (CRM), Methyl 3-[4-(methylsulfanyl)phenyl]-5-(trifluoromethyl)benzoate 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 | C16H13F3O2S |
| Molecular Weight | 326.33 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; 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 |
| Sulfur Atoms | 1 |
Related Methyl Standards
- 4-[(Methylsulfanyl)methyl]-6-(phenylsulfanyl)-2-(pyridin-2-yl)pyrimidine (CAS 477886-23-0)
- 1-[6-(Methylsulfanyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine (CAS 339106-39-7)
- 3-[4-(Methylsulfanyl)phenyl]-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid (CAS 439121-08-1)
- 4-[6-(Methylsulfanyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine (CAS 478081-02-6)
- 2-(Methylsulfanyl)-n-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide (CAS 851289-23-1)
- 4-[(Methylsulfanyl)methyl]-2-phenyl-6-(phenylsulfanyl)pyrimidine (CAS 477886-15-0)
- 2-(Methylsulfanyl)-4-(naphthalen-2-yloxy)thieno[2,3-d]pyrimidine (CAS 383147-01-1)
- 2-(Methylsulfanyl)-4-(naphthalen-2-yloxy)thieno[3,2-d]pyrimidine (CAS 339018-89-2)
Recommended Standards
- 1-((2-Oxo-2,3-dihydrobenzo[d]oxazol-6-yl)sulfonyl)piperidine-2-carboxylic acid (CAS 1706646-63-0)
- 1-(2-Fluorophenyl)-3-((1-(p-tolyl)-1H-tetrazol-5-yl)methyl)urea (CAS 920484-66-8)
- 2-Fluoro-5-(5-isopropyl-1H-tetrazol-1-yl)-[1,1-biphenyl]-3-carboxylic acid (CAS 1380571-65-2)
- 1-(4-Fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-1h-1,2,4-triazole-3-carboxamide (CAS 338398-13-3)
- 3-Amino-6-(pyridin-4-yl)-N-(p-tolyl)thieno[2,3-b]pyridine-2-carboxamide (CAS 496019-23-9)
- N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-benzamide (CAS 708990-69-6)
- 5-(4-Bromophenyl)-N-(p-tolyl)-1,3,4-thiadiazol-2-amine (CAS 92433-18-6)
- 2-Hydroxy-N,5-dimethylbenzamide (CAS 19617-55-1)
- 2-Amino-4-(2,5-difluorophenyl)-6-(hydroxymethyl)-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carbonitrile (CAS 664999-56-8)
- N-cyclopropyl-4-methylcyclohexan-1-amine hydrochloride (CAS 1177271-63-4)
- Elagolix Impurity 112 (CAS CATO-C4X-2068112)
- (1-(5-Chloro-2-fluorophenyl)-1H-1,2,3-triazol-4-yl)methanol (CAS 1248655-36-8)
- 5-(Tert-butyl)-2-propoxybenzaldehyde (CAS 883515-73-9)
- D-[Thr]7-Liraglutide (CAS CATO-C4X-199237)
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