Methyl 3-(chlorosulfonyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate CAS 306935-98-8
| CAS No. | 306935-98-8 |
| Molecular Formula | C13H8ClF3O4S2 |
| Molecular Weight | 384.78 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 3-(chlorosulfonyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl 3-(chlorosulfonyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate (CAS 306935-98-8), molecular formula C13H8ClF3O4S2 and molecular weight 384.78 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Methyl 3-(chlorosulfonyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate (C13H8ClF3O4S2) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 384.78 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 | C13H8ClF3O4S2 |
| Molecular Weight | 384.78 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Sulfur Atoms | 2 |
Related Methyl Standards
- 4-Chlorosulfonyl-2-trifluoromethyl-[2,3]-bithiophenyl-5-carboxylic acid methyl ester (CAS 1431555-28-0)
- 2,4-bis(chlorosulfonyl)phenyl pivalate (CAS CATO-C4X-212340)
- Benzyl 4-(4-(chlorosulfonyl)phenyl)piperazine-1-carboxylate (CAS 125393-31-9)
- Methyl 5-(chlorosulfonyl)-2-iodo-3-methylbenzoate (CAS 1154155-39-1)
- Ethyl 5-(chlorosulfonyl)-2-iodobenzoate (CAS 1155911-38-8)
- Benzyl 5-(chlorosulfonyl)-7-nitro-2,3-dihydro-1H-indole-1-carboxylate (CAS 1710628-73-1)
- 5-[[p-(Chlorosulfonyl)phenyl]azo]salicylic Acid Methyl Ester Acetate (CAS 34265-47-9)
- 3-Chlorosulfonyl-4-(2-hydroxy-phenyl)-5-trifluoro-methyl-thiophene-2-carboxylic acid methyl ester (CAS 1431555-15-5)
Recommended Standards
- 4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-N-phenylpiperazine-1-carboxamide (CAS 856181-88-9)
- 2-(2-Chloro-4-nitrobenzenesulfonamido)-3-phenylpropanoic acid (CAS 1009582-33-5)
- 4-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)benzamide (CAS 338979-27-4)
- Ethyl 4-(4-chloro-3-nitrobenzenesulfonamido)benzoate (CAS 16362-53-1)
- 1,4-Bis(ethylamino)-5,8-dihydroxyanthracene-9,10-dione (CAS 100495-56-5)
- 5-Bromo-2,3-dichlorotoluene (CAS 204930-38-1)
- Tert-butyl ((2R,3R)-4'-chloro-2-(hydroxymethyl)-2,3,4,5-tetrahydro-[1,1'-biphenyl]-3-yl)carbamate (CAS 2161335-83-5)
- 2-(3-Chloropyridin-2-yl)acetic acid, sodium salt (CAS 1643136-50-8)
- 3-Methoxy-4-nitro-1h-pyrazole-5-carboxylic acid (CAS 161235-54-7)
- Benzyl 2-(2-(methylamino)pyridin-3-yl)pyrrolidine-1-carboxylate (CAS 1352516-92-7)
- Thiamphenicol (CAS 15318-45-3)
- 4-Fluorogramine (CAS 101909-46-0)
- Ethyl (propane-2-sulfonyl)-acetate (CAS 112810-00-1)
- Tirzepatide Impurity 38 (CAS CATO-C4X-324038)
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