Dysene sodium

Structural formula

Business number	03V4
Molecular formula	C4H6N2Na2S4
Molecular weight	256.34
label	1,2-bisdiethylcarbamoyl disulfate disodium, Sodium ethylene bisdithiocarbamate, 1,2-Ehanediylbiscarbamodithioicaciddisodiumsalt

• 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:142-59-6

MDL number:MFCD00069382

EINECS number:205-547-0

RTECS number:FA6825000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: colorless crystalline solid with sulfur-like odor. ^[1]

2. Relative density (water = 1) 1.14 (20℃) ^[2]

3. Octanol/water partition coefficient: -4.240^[3]

4. Solubility: soluble in water, insoluble in common organic solvents. ^[4]

Toxicological data

1. Acute toxicity^[5] LD50: 395mg/kg (oral in rats); 580mg/kg (oral in mice)

2. Irritation No data available

3. Subacute and chronic toxicity^[6] It has goitrogenic effect.

4. Mutagenicity ^[7] Microbial mutagenicity: 1000ppm of unspecified biological species.

5. Others^[8] The lowest subcutaneous toxic dose in mice (TDLo): 194 mg/kg (administered 6 to 15 days after pregnancy), for The external structure of the placenta is affected and the fetal mouse dies.

Ecological data

1. Ecotoxicity^[9]

LC50: 5.8mg/L (96h) (guppy); 0.44mg/L ( 48h) (Daphnia)

EC50: 102mg/L (15min) (Photobacteria, Microtox toxicity test); 2.4mg/L (96h) (Single-cell green algae)

2. Biodegradability ^[10] In laboratory activated sludge experiments, the initial concentration was about 10ppm. After 4 days, the removal rate was 96%.

3. Non-biodegradability No information available

Molecular structure data

None

Compute chemical data

1. Number of hydrogen bond donors: 2

2. Number of hydrogen bond acceptors: 2

3. Number of rotatable chemical bonds: 3

4. Topological molecular polar surface area (TPSA): 24.1

5. Number of heavy atoms: 12

6. Surface charge: 0

7. Complexity : 108

8. Number of isotope atoms: 0

9. Number of determined atomic stereocenters: 0

10. Number of uncertain atomic stereocenters: 0

11. Determined number of stereocenters of chemical bonds: 0

12. Uncertain number of stereocenters of chemical bonds: 0

13. Number of covalent bond units :3

Properties and stability

1. Stability^[11] Stable

2. Incompatible substances^[12] Strong oxidants, strong acids, strong alkali

3. Conditions to avoid contact^[13] Heat and light

4. Polymerization hazard^[14] No polymerization

5. Decomposition products^[15] Sulfide

Storage method

Storage Precautions^[16] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Avoid light. The packaging must be sealed and must not come into contact with air. They should be stored separately from oxidants, acids, alkalis, 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

The preparation method is to add clean water to the reaction kettle in advance, add ethylenediamine under stirring, control the reaction temperature to be less than 35°C and start adding carbon disulfide dropwise. After the dropwise addition is completed, keep the temperature of the reaction material at about 30°C and continue stirring for 30 minutes. When the medium pH of the reaction material is ≤ 9, start adding 20% ​​sodium hydroxide aqueous solution to the reaction kettle in batches. When adding alkali, the reaction temperature is controlled at about 35°C. After each batch of sodium hydroxide is added, the pH of the reaction solution is controlled to ≤ 9. , to add the next batch of sodium hydroxide. After all the sodium hydroxide is added, continue the heat preservation reaction for 1 hour. Take a sample and observe that there are no obvious oil beads in the material, which means the reaction end point is reached. Cool the temperature to below 25°C, stop stirring, and let it stand to separate the unreacted carbon disulfide. The light yellow liquid is sodium chloride aqueous solution.

There are one-step and two-step methods for the synthesis of sodium daisen. The two-step method is adopted in China. This method is conducive to controlling the formation of the by-product sodium trithiocarbonate, so the product quality is good and the yield is high. Also high.

Purpose

1. Sodium disodium, disodium ethylene bisdithiocarbamate, is an important intermediate for the fungicides mancozeb and mancozeb.

2. Used as agricultural fungicide. ^[17]