3-((3-(Trifluoromethyl)benzyl)thio)thiophene-2-carboxylic acid CAS 251096-78-3
| CAS No. | 251096-78-3 |
| Molecular Formula | C13H9F3O2S2 |
| Molecular Weight | 318.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-((3-(Trifluoromethyl)benzyl)thio)thiophene-2-carboxylic acid is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-((3-(Trifluoromethyl)benzyl)thio)thiophene-2-carboxylic acid (CAS 251096-78-3), molecular formula C13H9F3O2S2 and molecular weight 318.33 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-((3-(Trifluoromethyl)benzyl)thio)thiophene-2-carboxylic acid (C13H9F3O2S2) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine 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 318.33 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 3-((3-(Trifluoromethyl)benzyl)thio)thiophene-2-carboxylic acid 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 | C13H9F3O2S2 |
| Molecular Weight | 318.33 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Sulfur Atoms | 2 |
Related Trifluoromethyl Standards
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Recommended Standards
- 2-Fluoro-5-methoxy-4-(thieno[2,3-d]pyrimidin-4-ylamino)benzamide (CAS 917908-32-8)
- 3-(7-Methoxybenzofuran-2-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde (CAS 956363-91-0)
- 2-[(E)-(3-Nitrophenyl)methylidene]-2,3,4,9-tetrahydro-1H-carbazol-1-one (CAS 866138-42-3)
- 3,6-Bis(4-aminophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione (CAS 415709-73-8)
- (E)-N'-[(2,6-Dichlorophenyl)methoxy]-N-(5-methyl-1,2-oxazol-3-yl)methanimidamide (CAS 339104-25-5)
- 3-(2,6-Dichlorophenyl)isoxazol-5-ol (CAS 1188023-47-3)
- 2,2-Dimethyl-1,3-oxazinane (CAS 73155-29-0)
- (S)-Trichostatin A (CAS 122292-85-7)
- 4-Chloro-2-nitrobenzenethiol (CAS 36776-27-9)
- Methyl 2-Chloro-3-fluoroisonicotinate (CAS 628691-95-2)
- 2-(((1-Benzylpyrrolidin-3-yl)methyl)(cyclopropyl)amino)acetic acid (CAS 1353956-55-4)
- 3-(((4-Chlorophenyl)(phenyl)methyl)thio)-1,2,4-thiadiazol-5-amine (CAS 632300-36-8)
- 2,6-Dichloro-4-propylnicotinonitrile (CAS 52338-17-7)
- Semaglutide Impurity 75 (CAS CATO-C4X-2226175)
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