Structural formula
| Business number | 03DV |
|---|---|
| Molecular formula | C12H8Cl2O5S2 |
| Molecular weight | 367.22 |
| label |
p,p-oxybibenzenesulfonyl chloride, 4,4′-oxybibenzenesulfonyl chloride, 4,4′-bis(sulfonyl chloride) diphenyl ether, 4,4′-oxybis-benzenesulfonylchlorid, 4,4′-oxydi-benzenesulfonylchlorid, 4,4′-oxydibenzenesulfonylchloride, oxybis(4-benzenesulfonylchloride), p,p’-oxybis(benzenesulfonylchloride), P,P-Oxybisbe, aromatic compounds |
Numbering system
CAS number:121-63-1
MDL number:MFCD00024884
EINECS number:204-488-8
RTECS number:None
BRN number:2169540
PubChem ID:None
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 80.49
2. Molar volume（m3/mol)： 233.3
3. isotonic ratio（90.2K）：631.4
4. Surface Tension(dyne/cm)：53.6
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability: 31.91
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.5
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 94.3
7. Number of heavy atoms: 21
8. Surface charge: 0
9. Complexity: 483
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
“FONT-SIZE: 9pt; FONT-FAMILY: 宋体; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial; mso-font-kerning: 0pt “>）：
7. Polarizability: 31.91
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.5
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 94.3
7. Number of heavy atoms: 21
8. Surface charge: 0
9. Complexity: 483
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
