4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzoate CAS 329079-31-4
| CAS No. | 329079-31-4 |
| Molecular Formula | C17H13F3O2S2 |
| Molecular Weight | 370.41 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-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzoate.
4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzoate (CAS 329079-31-4), molecular formula C17H13F3O2S2 and molecular weight 370.41 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzoate (C17H13F3O2S2) is characterized by a steroid core, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. 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. 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.
CATO manufactures 4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzoate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C17H13F3O2S2 |
| Molecular Weight | 370.41 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Sulfur Atoms | 2 |
Related Dithiolan Standards
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- 4-(1,3-Dithiolan-2-yl)phenyl 4-chlorobenzene-1-sulfonate (CAS 331460-97-0)
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Recommended Standards
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- 1,6-Dihydro-6-oxo-3-pyridazinecarboxylic acid, ethylester (CAS 63001-81-0)
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- 2-Bromo-5-(2,5-dimethyl-1H-pyrrol-1-yl)pyrazine (CAS 1481474-80-9)
- 3-Methyl-n-(3-methylbutan-2-yl)pyridin-4-amine (CAS 1343678-10-3)
- 4-Mercaptobenzenesulfonic Acid (CAS 7134-41-0)
- 1-(4-Chlorophenyl)-2-(1-(cyclopropylmethyl)piperidin-4-yl)ethanone (CAS 144068-31-5)
- 4-Fluoro-2-(hex-1-yn-1-yl)benzaldehyde (CAS 1207290-13-8)
- 1-Cyclopropyl-N-((2-methoxypyridin-3-yl)methyl)methanamine (CAS 1184165-50-1)
- 2,2'-((2,4-dinitrophenyl)azanediyl)bis(ethan-1-ol) (CAS 5246-88-8)
- Insulin Degludec Impurity 10 (CAS CATO-C4X-215710)
- 5,8-Dimethylquinoline (CAS 2623-50-9)
- Heme iron polypeptide(Hematin) (CAS 14875-96-8)
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