Tetramethylthiuram monosulfide Tetramethylthiuranm monosulide

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:97-74-5

MDL number:MFCD00014870

EINECS number:202-605-7

RTECS number:WQ1750000

BRN number:1775650

PubChem number:24880353

Physical property data

1. Properties: yellow powder or granules

2. Relative density (g/mL, 25℃): 1.39-1.40

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

4. Melting point (ºC): 110

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

6 . Boiling point (ºC, kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): 156

9. Ratio Optical rotation (º): Undetermined

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

11. Vapor pressure (mmHg, ºC): Undetermined

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

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

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Insoluble Soluble in water, gasoline, ethanol, benzene, acetone, chloroform.

Toxicological data

Acute toxicity: intraperitoneal – rat LD50: 383 mg/kg; oral – mouse LD50: 818 mg/kg

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 59.86

2. Molar volume (cm³/mol): 166.0

3. Isotonic specific volume (90.2K ): 465.9

4. Surface tension (dyne/cm): 62.0

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 23.73

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 96

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 147

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. Avoid contact with strong oxidants.

2. Soluble in benzene, acetone, dichloroethane, carbon disulfide, toluene, chloroform, slightly soluble in ethanol and ether, insoluble in gasoline and water. Odorless, tasteless and non-toxic. Storage stable.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

Add tetramethylthiuram disulfide (accelerator TMTD) and sodium cyanide to the reaction kettle, then add water and ethanol, stir and raise the temperature to 40-50°C to carry out desulfurization reaction. After the reaction is complete, cool down and let stand for layering. After the oil layer is washed with water, separated and dehydrated, the finished product is obtained.

Purpose

Used as vulcanization accelerator for natural rubber and synthetic rubber.