Structural formula
| Business number | 01ZK |
|---|---|
| Molecular formula | C8H8Cl2O2S |
| Molecular weight | 239.12 |
| label | 5-Chloro-m-xylene-2-sulfonyl chloride, 5-Chloro-p-xylene-2-sulphonyl chloride |
Numbering system
CAS number:88-49-3
MDL number:MFCD00044017
EINECS number:201-835-5
RTECS number:None
BRN number:2838165
PubChem ID:None
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 54.47
2. Molar volume (m3/mol）：170.5
3. isotonic ratio (90.2K):435.8
4. Surface Tension (dyne/cm):42.6
5. Polarizability（10-24cm3):21.59
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.3
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 42.5
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 270
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
