Back to Search
Molecule
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
Identifiers
CAS Registry Number
80-07-9
SMILES
O=S(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChI Key
GPAPPPVRLPGFEQ-UHFFFAOYSA-N
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
Names and Synonyms
- 4,4'-Dichlorodiphenyl Sulfone Systematic Name
- Benzene, 1,1′-sulfonylbis[4-chloro- Synonym
- Sulfone, bis(p-chlorophenyl) Synonym
- 1,1′-Sulfonylbis[4-chlorobenzene] Synonym
- 4-Chloro-1-(4-chlorophenylsulfonyl)benzene Synonym
- Bis(4-chlorophenyl) sulfone Synonym
- p,p′-Dichlorodiphenyl sulfone Synonym
- Bis(p-chlorophenyl) sulfone Synonym
- p-Chlorophenyl sulfone Synonym
- 4-Chlorophenyl sulfone Synonym
- 4,4′-Dichlorodiphenyl sulfone Synonym
- Di-p-chlorophenyl sulfone Synonym
- B 0810 Synonym
- NSC 23899 Synonym
- NSC 38759 Synonym
- NSC 50730 Synonym
- NSC 7207 Synonym
- 1-Chloro-4-(4-chlorophenyl)sulfonylbenzene Synonym
- 1-Chloro-4-(4-chlorobenzenesulfonyl)benzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 287.17 g/mol | CAS Common Chemistry |
| 287.16700000000003 g/mol | RDKit | |
| 287.167 g/mol | RDKit | |
| 287.154 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4,4%27-Dichlorodiphenyl_sulfone | 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 |
| 3.8262 | RDKit | |
| 3.45 | chempirical lib | |
| Molar Refractivity | 68.35580000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 285.96220585599997 g/mol | RDKit |
| Boiling Point | 186-187 °C @ 0.7 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 287.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H8Cl2O2S.
