4-Chlorophenyl Methyl Sulfone 4-Chlorophenyl Methyl Sulfone
Structural formula
| Business number | 02E5 |
|---|---|
| Molecular formula | C7H7ClO2S |
| Molecular weight | 190.65 |
| label |
p-Methyl sulfonyl chlorobenzene, 4-Chlorophenylmethylsulfone, p-chlorobenzyl sulfone, 1-Chloro-4-(methylsulfonyl)benzen, Methyl p-chlorophenyl sulfone, ClC6H4SO2CH3 |
Numbering system
CAS number:98-57-7
MDL number:MFCD00025067
EINECS number:202-682-7
RTECS number:WR5730000
BRN number:638281
PubChem number:24878957
Physical property data
1. Properties: solid.
2. Density (g/mL, 25℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 95-98
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 30mmHg): 60
5. p>
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 40ºC): Not determined
12. Saturated vapor pressure ( kPa, 25ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined
17. Explosion upper limit (%, V/ V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
1. Skin/eye irritation: Standard Dresser test: Rabbit skin contact, 500mg/24HREACTION SEVERITY, slight reaction; 2. Acute toxicity: Rat oral LD50: 400mg/kg; Rat skin contact LD: >5600mg/ kg; Mouse oral LD50: 606mg/kg; 3. Other multiple dose toxicity: Rat oral TDLo: 1400 mg/kg/28D-C; Rat oral TDLo: 3413 mg/kg/91D-C; Small Rat oral TDLo: 13650 mg/kg/91D-C; Primates-monkey oral TDLo: 280 mg/kg/14D-C;
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 45.02
2. Molar volume (cm3/mol): 143.1
3. Isotonic specific volume (90.2K ): 360.4
4. Surface tension (dyne/cm): 40.1
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 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: 209
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 oxidizing agents.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
None
Purpose
None