4-Chlorophenyl Methyl Sulfone 4-Chlorophenyl Methyl Sulfone

Structural formula

• 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: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