3-(1,1-dioxothian-4-yl)prop-2-ynoic acid CAS 1896485-66-7
| CAS No. | 1896485-66-7 |
| Molecular Formula | C8H10O4S |
| Molecular Weight | 202.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(1,1-dioxothian-4-yl)prop-2-ynoic acid (CAS 1896485-66-7), molecular formula C8H10O4S and molecular weight 202.23 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system, 3-(1,1-dioxothian-4-yl)prop-2-ynoic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 202.23 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
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 | C8H10O4S |
| Molecular Weight | 202.23 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Sulfur Atoms | 1 |
Related dioxothian Standards
- 3-(1,1-dioxothian-3-yl)prop-2-ynoic acid (CAS 1894891-77-0)
- 3-(1,1-Dioxothian-4-yl)benzotriazol-5-amine (CAS 2287340-05-8)
- 1-(1,1-Dioxothian-4-yl)-2,3-dihydrobenzotriazol-4-amine (CAS 2719593-24-3)
- 1-(1,1-Dioxothian-4-yl)-2,3-dihydrobenzotriazol-5-amine (CAS 2721205-44-1)
- 3-(1,1-Dioxothian-4-yl)-1,2-dihydrobenzotriazol-5-amine (CAS 2723298-02-8)
- 1-(1,1-Dioxothian-4-yl)-6-fluoro-benzotriazol-5-amine (CAS 2287317-44-4)
- 1-(1,1-Dioxothian-4-yl)-6-fluoro-2,3-dihydrobenzotriazol-5-amine (CAS 2718490-71-0)
- N-(1,1-Dioxothian-3-yl)-1-ethyl-indazol-6-amine (CAS 2392119-95-6)
Recommended Standards
- 4-Methoxyphenyl mesylate (CAS 19013-30-0)
- 8-Thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5,10,12-pentaen-3-one (CAS 18774-49-7)
- (4-Fluoro-phenyl)-pyridin-4-ylmethyl-amine (CAS 193339-01-4)
- 3-Methoxy-5-(methylsulfonyl)pyridin-2-amine (CAS 1824110-84-0)
- 4-(Aminomethyl)-1-isopropylpyrrolidin-3-amine (CAS 55372-52-6)
- 6-Fluoro-N'-hydroxy-1,3-benzoxazole-2-carboximidamide (CAS 1172606-65-3)
- 1-Phenyl-N-propyl-1h-pyrazole-4-carboxamide (CAS 1135082-66-4)
- Lusutrombopag Impurity 71 (CAS CATO-C4X-208471)
- 2-amino-3-cyclobutylpropanoic acid hydrochloride (CAS 681128-35-8)
- 2-(2-Chloro-4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine (CAS 372122-57-1)
- 3-Bromo-N-(2-fluorobenzyl)aniline (CAS 1019577-62-8)
- 3-Ethynyl-4-methoxyaniline (CAS 1353245-64-3)
- 3-Chloro-5-(difluoromethyl)-6-fluoropyridin-2-amine (CAS 1806792-12-0)
- Semaglutide impurity 210 (CAS CATO-C4X-2226210)
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