But-2-yne-1,4-diyl bis(2,5-dimethylbenzenesulfonate)
4-(2,5-dimethylphenyl)sulfonyloxybut-2-ynyl 2,5-dimethylbenzenesulfonate
Also Known As: 2,diester with 2-butyne-1,4-diol|2, diester with 2-butyne-1,4-diol|2-Butyne-1, di-2,5-xylenesulfonate|but-2-yne-1,4-diyl bis(2,5-dimethylbenzenesulfonate)|But-2-yne-1,4-diyl bis(2,5-dimethylbenzene-1-sulfonate)|4-(2,5-dimethylphenyl)sulfonyloxybut-2-ynyl 2,5-dimethylbenz|4-(2,5-dimethylphenyl)sulfonyloxybut-2-ynyl 2,5-dimethylbenzenesulfonate|Benzenesulfonic acid,2,5-dimethyl-, 2-butyne-1,4-diyl ester (9CI)
CAS: 66049-87-4
| Molecular Formula | C20H22O6S2 |
|---|---|
| Molecular Weight | 422.0858 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.0858 |
| Monoisotopic Mass | 422.0858 |
| Heavy Atoms | 28 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 66049-87-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)S(=O)(=O)OCC#CCOS(=O)(=O)C2=C(C=CC(=C2)C)C |
| InChIKey | IQSFCHBDBSJOHS-UHFFFAOYSA-N |
Product Overview
But-2-yne-1,4-diyl bis(2,5-dimethylbenzenesulfonate) (CAS 66049-87-4), with molecular formula C20H22O6S2 and molecular weight 422.0858 g/mol. IUPAC: 4-(2,5-dimethylphenyl)sulfonyloxybut-2-ynyl 2,5-dimethylbenzenesulfonate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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