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4,4'-Dichlorodiphenyl Sulfone
CAS: 80-07-9 | C12H8Cl2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
80-07-9
Molecular Formula:
C12H8Cl2O2S
Molecular Mass:
287.17 g/mol
Names and Synonyms:
4,4'-Dichlorodiphenyl Sulfone
Benzene, 1,1′-sulfonylbis[4-chloro-
Sulfone, bis(p-chlorophenyl)
1,1′-Sulfonylbis[4-chlorobenzene]
4-Chloro-1-(4-chlorophenylsulfonyl)benzene
Bis(4-chlorophenyl) sulfone
p,p′-Dichlorodiphenyl sulfone
Bis(p-chlorophenyl) sulfone
p-Chlorophenyl sulfone
4-Chlorophenyl sulfone
4,4′-Dichlorodiphenyl sulfone
Di-p-chlorophenyl sulfone
B 0810
NSC 23899
NSC 38759
NSC 50730
NSC 7207
1-Chloro-4-(4-chlorophenyl)sulfonylbenzene
1-Chloro-4-(4-chlorobenzenesulfonyl)benzene
Identifiers:
SMILES:
O=S(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChI:
InChI=1S/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
Key Properties
Boiling Point
186-187 °C @ Press: 0.7 Torr
CAS Common Chemistry
Melting Point
147.9 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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6
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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 | 287.17 g/mol | CAS Common Chemistry |
| 287.16700000000003 g/mol | RDKit | |
| 285.96220585599997 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4,4%27-Dichlorodiphenyl_sulfone | CAS Common Chemistry |
| Boiling Point | 186-187 °C @ Press: 0.7 Torr | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=GPAPPPVRLPGFEQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 147.9 °C | CAS Common Chemistry |
| Name | 4,4′-Dichlorodiphenyl sulfone | CAS Common Chemistry |
| 4,4'-Dichlorodiphenyl sulfone | CAS Common Chemistry | |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 3.826200000000002 | RDKit |
| Molar Refractivity | 68.35580000000003 | RDKit |
