cyanamide
Structural formula
| Business number | 04RL |
|---|---|
| Molecular formula | CH2N2 |
| Molecular weight | 42 |
| label |
None yet |
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.
