Back to Search
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
Names and Synonyms:
3,3′,4,4′-Diphenyl Sulfone Tetracarboxylic Dianhydride
Diphenyl sulfone-3,4,3′,4′-tetracarboxylic dianhydride
1,3-Isobenzofurandione, 5,5′-sulfonylbis-
Phthalic anhydride, 4,4′-sulfonyldi-
5,5′-Sulfonylbis[1,3-isobenzofurandione]
3,3′,4,4′-Tetracarboxydiphenyl sulfone dianhydride
4,4′-Sulfonylbis(phthalic anhydride)
3,3′,4,4′-Diphenyl sulfone tetracarboxylic anhydride
4,4′-Diphthalic anhydride sulfone
4,4′-Sulfonyldiphthalic anhydride
4,4′-Sulfonyldiphthalic acid dianhydride
3,3′,4,4′-Diphenyl sulfone tetracarboxylic dianhydride
NSC 689416
Rikacid DSDA
Bis(3,4-dicarboxyphenyl) sulfone dianhydride
3,3′,4,4′-Diphenyl sulfone tetracarboxylic acid dianhydride
DSDA
3,3′,4,4′-Biphenylsulfone tetracarboxylic dianhydride
Identifiers:
SMILES:
O=C1OC(=O)c2cc(S(=O)(=O)c3ccc4c(c3)C(=O)OC4=O)ccc21
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
Key Properties
Melting Point
275-278 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 358.28 g/mol | CAS Common Chemistry |
| 358.28300000000013 g/mol | RDKit | |
| 357.97833815199994 g/mol | RDKit | |
| 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 |
| LogP | 1.1406 | RDKit |
| Molar Refractivity | 77.82780000000001 | RDKit |
