dimethyl disulfide

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:624-92-0

MDL number:MFCD00008561

EINECS number:210-871-0

RTECS number:JO1927500

BRN number:1730824

PubChem number:24870743

Physical property data

1. Properties: light yellow transparent liquid, easily volatile, with sulfide odor.

2. Density (g/mL, 25/4℃): 1.0625

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): -85

5. Boiling point (ºC, normal pressure): 109.7

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index (n/20/D): 1.5260

8. Flash point (ºC): 24

9. Specific rotation (º) : Undetermined

10. Autoignition point or ignition temperature (ºC): 300

11. Vapor pressure (kPa, 25ºC): Undetermined

12 . Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

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15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): 1.1

18. Lower explosion limit (%, V/V): 1.6

19. Solubility: insoluble in water, soluble in ethanol and ether , miscible with acetic acid.

Toxicological data

1. Acute toxicity: Rat (inhalation) LC50: 15,850μg/m3/2H

Mouse (inhalation) LC50: 12,300μg/m3/2H

Species unknown (Not reported) LD50: 138 mg/kg

Since the LD50 of table salt is 3,000 mg/kg, the acute toxicity of BPA is the same as that of table salt.

Ecological data

Do not allow large quantities of products that are slightly harmful to water to come into contact with groundwater, waterways or sewage systems. It is also toxic to fish and plankton in the water. Do not discharge materials into the surrounding environment without government permission. To waterThe organic matter in � is poisonous.

Molecular structure data

1. Molar refractive index: 27.30

2. Molar volume (cm³/mol): 89.4

3. Isotonic specific volume (90.2K ): 213.0

4. Surface tension (dyne/cm): 32.1

5. Polarizability (10^-24cm³): 10.82

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 50.6

7. Number of heavy atoms: 4

8. Surface charge: 0

9. Complexity: 6

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

1. Stay away from oxides, reducing agents, and alkalis.

2. Light yellow transparent liquid. There is a stench. Insoluble in water, miscible with ethanol, ether and acetic acid.

3. Exists in flue-cured tobacco leaves and smoke.

Storage method

Store in an airtight container in a cool, dry place. The storage area must be locked and the keys must be given to the technical experts and their assistants. Avoid moisture and humidity. Keep away from oxidizing agents, reducing agents, and do not store together with strong alkalis.

Synthesis method

1. Dimethyl disulfide is synthesized industrially using the dimethyl sulfate method. Put the solid sodium sulfide and water into the reaction kettle, heat it, and control the temperature at 50~60°C to dissolve the sodium sulfide, then add moles of sulfur in batches, keep it warm for 1 hour, cool to 45°C, and start adding dimethyl sulfate dropwise. Keep the reaction temperature between 40 and 45°C. After adding, keep the temperature for 1 hour to steam out the product dimethyl disulfide.

2. Tobacco: FC, 40.

Purpose

It is used in the synthesis of organophosphorus pesticide fenthion, the intermediate p-methylthioresorphenol of fenthionate, and the intermediate p-methylthiophenol of thiopyrophate. It can also be used as a purifying agent for solvents and catalysts.