o-toluenesulfonyl chloride
Structural formula
| Business number | 03P5 |
|---|---|
| Molecular formula | C7H7ClO2S |
| Molecular weight | 190.65 |
| label |
Tetraphenylsulfone chloride, 2-Toluenesulfonate chloride, o-Toluenesulfonyl chloride, aromatic compounds |
Numbering system
CAS number:133-59-5
MDL number:MFCD00024874
EINECS number:205-113-0
RTECS number:None
BRN number:None
PubChem number:24879662
Physical property data
None yet
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
5. Molecular property data: 1、 Molar refractive index：45.02 2、 Molar volume(m3/mol):142.3 3、 Isotonic specific volume（90.2K）：360.4 4、 Surface tension(3.0 dyne/cm):41.0 5、 Polarizability0.5 10-24 cm3):17.84
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
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: 11
8. Surface charge: 0
9. Complexity: 217
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
basic properties
Colorless oily liquid. Soluble in hot ethanol, ether and benzene, insoluble in water. It is hydrolyzed into sulfonic acid in hot water. Relative density 1.3383. Melting point 10.2℃. Boiling point 126℃ (1.33kPa). Refractive index 1.5565. poisonous.
Storage method
storage
Seal and dry storage
Synthesis method
None yet
Purpose
Purpose
Organic synthesis. Saccharin and dye intermediates.
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Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
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: 11
8. Surface charge: 0
9. Complexity: 217
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
basic properties
Colorless oily liquid. Soluble in hot ethanol, ether and benzene, insoluble in water. It is hydrolyzed into sulfonic acid in hot water. Relative density 1.3383. Melting point 10.2℃. Boiling point 126℃ (1.33kPa). Refractive index 1.5565. poisonous.
Storage method
storage
Seal and dry storage
Synthesis method
None yet
Purpose
Purpose
Organic synthesis. Saccharin and dye intermediates.
