Structural formula
| Business number | 02DQ |
|---|---|
| Molecular formula | C6H3Cl3O2S |
| Molecular weight | 245.51 |
| label |
3,4-Dichlorophenylmethylsulfonyl chloride, 3,4-Dichloro-benzenesulfonylchlorid, Cl2c6h3so2cl |
Numbering system
CAS number:98-31-7
MDL number:MFCD00041255
EINECS number:202-656-5
RTECS number:None
BRN number:1956417
PubChem ID:None
Physical property data
1. Appearance: liquid.
2. Density (g/mL,20℃） ：1.572
3. Relative vapor density (g/mL,air =1): Undetermined
4. Melting point (ºC):20- 22
5. Boiling point (ºC,normal pressure):253
6. Boiling point (ºC, kPa): Not determined
7. Refractive index:1.589
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC):Undetermined
11. Vapor pressure (mmHg, 40ºC): Undetermined
12. Saturated vapor pressure (kPa, 20ºC): Not determined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 40ºC): Undetermined
12. Saturated vapor pressure (kPa, 20ºC): Not determined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
This substance is slightly harmful to water.
Molecular structure data
None
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: 12
8. Surface charge: 0
9. Complexity: 246
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
Avoid contact with strong oxidants, alkalis, and humid moisture.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire, heat and water sources. Keep container tightly sealed. They should be stored separately from oxidants, strong bases, etc., and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None
Purpose
None
FONT-FAMILY: 宋体; mso-bidi-font-family: 宋体; mso-font-kerning: 0pt”>17. Explosion upper limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
This substance is slightly harmful to water.
Molecular structure data
None
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: 12
8. Surface charge: 0
9. Complexity: 246
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
Avoid contact with strong oxidants, alkalis, and humid moisture.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire, heat and water sources. Keep container tightly sealed. They should be stored separately from oxidants, strong bases, etc., and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None
Purpose
None
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