Back to Search
4,4′-Oxybis[Benzenesulfonyl Chloride]
CAS: 121-63-1 | C12H8Cl2O5S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
121-63-1
Molecular Formula:
C12H8Cl2O5S2
Molecular Mass:
367.23 g/mol
Names and Synonyms:
4,4′-Oxybis[Benzenesulfonyl Chloride]
Benzenesulfonyl chloride, 4,4′-oxybis-
Benzenesulfonyl chloride, 4,4′-oxydi-
4,4′-Oxybis[benzenesulfonyl chloride]
4,4′-Oxydibenzenesulfonyl chloride
Diphenyl ether 4,4′-disulfonyl chloride
Oxybis(benzenesulfonyl chloride)
Bis(4-chlorosulfonylphenyl) ether
p,p′-Oxybis(benzenesulfonyl chloride)
4,4′-Oxybis(benzenesulfonyl chloride)
Oxybis(4-benzenesulfonyl chloride)
Phenoxybenzene-4,4′-disulfonyl chloride
4,4′-Bis(chlorosulfonyl)biphenyl ether
4,4′-Bis(chlorosulfonyl)diphenyl ether
NSC 212
Identifiers:
SMILES:
O=S(=O)(Cl)c1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1
InChI:
InChI=1S/C12H8Cl2O5S2/c13-20(15,16)11-5-1-9(2-6-11)19-10-3-7-12(8-4-10)21(14,17)18/h1-8H
Key Properties
Melting Point
128-129 °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 | 367.23 g/mol | CAS Common Chemistry |
| 367.2310000000001 g/mol | RDKit | |
| 365.919020716 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(Cl)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)Cl)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H8Cl2O5S2/c13-20(15,16)11-5-1-9(2-6-11)19-10-3-7-12(8-4-10)21(14,17)18/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=HJKXLQIPODSWMB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 128-129 °C | CAS Common Chemistry |
| Name | 4,4′-Oxybis[benzenesulfonyl chloride] | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 77.51 Ų | RDKit |
| LogP | 3.3339000000000016 | RDKit |
| Molar Refractivity | 79.03560000000002 | RDKit |
