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Molecule
3,3′,4,4′-Diphenyl Sulfone Tetracarboxylic Dianhydride
CAS: 2540-99-0 · C16H6O8S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2540-99-0
- Molecular Formula
- C16H6O8S
- Molecular Mass
- 358.28 g/mol
Identifiers
CAS Registry Number
2540-99-0
SMILES
O=C1OC(=O)c2cc(S(=O)(=O)c3ccc4c(c3)C(=O)OC4=O)ccc21
InChI Key
ZHBXLZQQVCDGPA-UHFFFAOYSA-N
InChI
InChI=1S/C16H6O8S/c17-13-9-3-1-7(5-11(9)15(19)23-13)25(21,22)8-2-4-10-12(6-8)16(20)24-14(10)18/h1-6H
Names and Synonyms
- 3,3′,4,4′-Diphenyl Sulfone Tetracarboxylic Dianhydride Synonym
- Diphenyl sulfone-3,4,3′,4′-tetracarboxylic dianhydride Synonym
- 1,3-Isobenzofurandione, 5,5′-sulfonylbis- Synonym
- Phthalic anhydride, 4,4′-sulfonyldi- Synonym
- 5,5′-Sulfonylbis[1,3-isobenzofurandione] Synonym
- 3,3′,4,4′-Tetracarboxydiphenyl sulfone dianhydride Synonym
- 4,4′-Sulfonylbis(phthalic anhydride) Synonym
- 3,3′,4,4′-Diphenyl sulfone tetracarboxylic anhydride Synonym
- 4,4′-Diphthalic anhydride sulfone Synonym
- 4,4′-Sulfonyldiphthalic anhydride Synonym
- 4,4′-Sulfonyldiphthalic acid dianhydride Synonym
- 3,3′,4,4′-Diphenyl sulfone tetracarboxylic dianhydride Synonym
- NSC 689416 Synonym
- Rikacid DSDA Synonym
- Bis(3,4-dicarboxyphenyl) sulfone dianhydride Synonym
- 3,3′,4,4′-Diphenyl sulfone tetracarboxylic acid dianhydride Synonym
- DSDA Synonym
- 3,3′,4,4′-Biphenylsulfone tetracarboxylic dianhydride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 358.28 g/mol | CAS Common Chemistry |
| 358.28300000000013 g/mol | RDKit | |
| 358.283 g/mol | RDKit | |
| 358.276 g/mol | chempirical lib | |
| Canonical SMILES | O=C1OC(=O)C2=CC(=CC=C12)S(=O)(=O)C3=CC=C4C(=O)OC(=O)C4=C3 | CAS Common Chemistry |
| InChI | InChI=1S/C16H6O8S/c17-13-9-3-1-7(5-11(9)15(19)23-13)25(21,22)8-2-4-10-12(6-8)16(20)24-14(10)18/h1-6H | CAS Common Chemistry |
| InChI Key | InChIKey=ZHBXLZQQVCDGPA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 275-278 °C | CAS Common Chemistry |
| Name | 3,3′,4,4′-Diphenyl sulfone tetracarboxylic dianhydride | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 120.88000000000002 Ų | RDKit |
| 120.88 Ų | RDKit | |
| LogP | 1.1406 | RDKit |
| Molar Refractivity | 77.82780000000001 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 357.97833815199994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 358.28 g/mol. Edit any field — others recompute live.
