4,4-Difluoro-1-thien-2-ylbutane-1,3-dione CAS 76629-94-2
| CAS No. | 76629-94-2 |
| Molecular Formula | C8H6F2O2S |
| Molecular Weight | 204.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4,4-Difluoro-1-thien-2-ylbutane-1,3-dione 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.
CATO supplies 4,4-Difluoro-1-thien-2-ylbutane-1,3-dione (CAS 76629-94-2), a certified reference material (molecular formula C8H6F2O2S, MW 204.19 g/mol) for analytical method development and quality control.
4,4-Difluoro-1-thien-2-ylbutane-1,3-dione (C8H6F2O2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 4,4-Difluoro-1-thien-2-ylbutane-1,3-dione 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 | C8H6F2O2S |
| Molecular Weight | 204.19 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1978 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
- 4,4,4-trifluoro-3-phenylbutan-1-ol (CAS 65948-16-5)
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- 4-Amino-3-ethyl-6-hydroxyisoxazolo[5,4-b]pyridine-5-carbonitrile (CAS 496875-49-1)
- Ethyl 5-(difluoromethyl)-1-isobutyl-1H-pyrazole-4-carboxylate (CAS 1275246-17-7)
- (1-Cyclohexyl-1h-pyrazol-4-yl)methanol (CAS 861135-99-1)
- 2-((4-(2,4-Dichlorophenethyl)pyrimidin-2-yl)thio)-1-(p-tolyl)ethan-1-one (CAS 866039-11-4)
- tert-Butyl 4-(1H-indol-5-yl)piperazine-1-carboxylate (CAS 478083-09-9)
- 4,5-bis(carbazol-9-yl)-1,2-dicyanobenzene (CAS 1416881-50-9)
- 5-Heptafluoropropoxy-5,6,6,6-tetrafluorohexane-2,4-dione (CAS 261760-03-6)
- (4-((2,4-Dichlorobenzyl)oxy)phenyl)boronic acid (CAS 1256355-75-5)
- (2S,4R)-N-Fmoc-4-difluoromethoxy-Pro-OH (CAS 2382632-22-4)
- 3-Fluoro-1a,6a-dihydro-6H-indeno[1,2-b]oxirene (CAS 939760-59-5)
- Semaglutide impurity 97 (CAS CATO-C4X-222697)
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