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3,3′-Diaminodiphenyl Sulfone
CAS: 599-61-1 | C12H12N2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
599-61-1
Molecular Formula:
C12H12N2O2S
Molecular Mass:
248.31 g/mol
Names and Synonyms:
3,3′-Diaminodiphenyl Sulfone
Benzenamine, 3,3′-sulfonylbis-
Aniline, 3,3′-sulfonyldi-
3,3′-Sulfonylbis[benzenamine]
3,3′-Diaminodiphenyl sulfone
Bis(m-aminophenyl) sulfone
3,3′-Diaminophenyl sulfone
Bis(3-aminophenyl) sulfone
3,3′-Sulfonyldianiline
3,3′-Sulfonylbis(aniline)
DAS (crosslinking agent)
DAS
HT 9719
C 600 (hardener)
C 600
NSC 20610
Aradur 9719-1
3,3′-DDS
3,3′-DAS
Omicure 33DDS
C 10
C 10 (hardener)
Aradur 9771-1
Identifiers:
SMILES:
Nc1cccc(S(=O)(=O)c2cccc(N)c2)c1
InChI:
InChI=1S/C12H12N2O2S/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12/h1-8H,13-14H2
Key Properties
Melting Point
168-169 °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 | 248.31 g/mol | CAS Common Chemistry |
| 248.30700000000002 g/mol | RDKit | |
| 248.061948624 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(C=1C=CC=C(N)C1)C=2C=CC=C(N)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H12N2O2S/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12/h1-8H,13-14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LJGHYPLBDBRCRZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 168-169 °C | CAS Common Chemistry |
| Name | 3,3′-Diaminodiphenyl sulfone | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 86.18 Ų | RDKit |
| LogP | 1.6838000000000002 | RDKit |
| Molar Refractivity | 67.16060000000002 | RDKit |
