cyanamide

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:420-04-2

MDL number:MFCD00007572

EINECS number:206-992-3

RTECS number:GS5950000

BRN number:1732569

PubChem number:24851270

Physical property data

1. Physical property data

Properties: colorless needle-like crystals

Density (g/mL, 25 /4℃): 1.282

Relative vapor density (g/mL, air=1): Not available

Melting point (ºC): 42

Boiling point (ºC, normal pressure): 140

Boiling point (ºC, 5.2kPa): Not available

Refractive index: 1.4418

Flash point (ºC): 141

Specific rotation (º): Not available

Autoignition point or ignition temperature (ºC): Not available

Vapor pressure (kPa, 25ºC): Not available

Saturated vapor pressure (kPa, 60ºC): Not available

Heat of combustion (KJ/mol): Not available

Critical temperature (ºC): Not available

Critical pressure (KPa): Not available

Oil and water (octanol/water) Log value of partition coefficient: Not available

Explosion upper limit (%,V/V): Not available

Lower explosion limit (%,V /V): Not available

Solubility: Easily soluble in water, ethanol, ether, benzene, chloroform, acetone, etc., slightly soluble in carbon disulfide.

Toxicological data

2. Toxicological data:

Acute toxicity: Not available. This product is toxic. The oral LD50 for rats is 125 mg/kg.

Ecological data

3. Ecological data:

1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 10.13

2. Molar volume (cm³/mol): 42.1

3. Isotonic specific volume (90.2K ): 109.2

4. Surface tension (dyne/cm): 45.3

5. Polarizability (10^-24cm³): 4.01

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.3

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

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4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 49.8

7. Number of heavy atoms: 3

8. Surface charge: 0

9. Complexity: 29.3

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. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

This product is toxic. The oral LD50 for rats is 125 mg/kg.
　

Storage method

Use 25kg plastic drums or closed storage tanks for filling.

Synthesis method

The preparation method is to use lime nitrogen as raw material and react with sulfuric acid. Put water into the reaction kettle, cool it with ice salt water, put in lime nitrogen, keep the temperature between 0 and 15°C, add 5% sulfuric acid solution dropwise, adjust the pH = 6, keep it for 20 minutes, filter, wash with water, and return to the reaction kettle. , then add lime nitrogen, repeat the above operation twice, and conduct membrane concentration on the obtained filtrate, maintaining a certain temperature. After concentration, the content reaches 50% to 55%, and a 50% cyanamide solution is obtained. Reaction equation: CaCN₂+H₂O+H₂SO₄→NH₂CN+CaSO₄

Purpose

Cyanamide is an important pesticide intermediate, which can be used to prepare the fungicides carbendazim, benomyl, azoxystrobin-methyl, azoxystrobin, and the insecticides pirimicarb, Pyrimosulfuron-methyl, herbicides chlorsulfuron-methyl, metsulfuron-methyl, methylsulfuron-methyl, bensulfuron-methyl, bensulfuron-methyl, pyrazosulfuron-methyl, cyclosulfuron-methyl, etc.