4-Chloro-2,5-dimethylbenzenesulfonyl chloride

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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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