amitrole

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:61-82-5

mdl number:mfcd00005230

einecs number:200-521-5

rtecs number:xz3850000

brn number:107687

pubchem number:24891312

physical property data

1. properties: white crystalline powder.

2. density (g/ml, 25/4℃): 1.138

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): 157～159

5. boiling point (ºc, normal pressure): undetermined

6. boiling point (ºc, 5.2kpa): undetermined determined

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa, 25ºc): undetermined

12. saturation vapor pressure (kpa, 60ºc): 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. lower explosion limit (%, v/v): undetermined

19. solubility: soluble in water, methanol, ethanol and chloroform , insoluble in ether and acetone.

toxicological data

acute toxicity: rat oral ld50: 1100 mg/kg

ecological data

none yet

molecular structure data

1. molar refractive index: 21.10

2. molar volume (cm³/mol): 56.4

3. isotonic specific volume (90.2k): 181.0

4. surface tension (dyne/cm): 105.4

5. polarizability (10^-24cm³): 8.36

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -0.4

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 3

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4. number of rotatable chemical bonds: 0

5. number of tautomers: 5

6. topological molecular polar surface area 67.6

7. number of heavy atoms: 6

8. surface charge: 0

9. complexity: 44.8

10 .the number of isotope atoms: 0

11. the number of determined atomic stereocenters: 0

12. the number of uncertain atomic stereocenters: 0

13. determined number of stereocenters of chemical bonds: 0

14. number of uncertain stereocenters of chemical bonds: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

this product should be kept sealed.

synthesis method

it is obtained by cyclization of hydrazine hydrate, cyanamide and formic acid; or it is obtained by the reaction of aminoguanidine bicarbonate and formic acid, and then heated and cyclized; it can also be obtained by cyclizing guanidine nitrate at a temperature of 5-15℃ it reacted with acetic acid for 8 hours, then reacted with oxalic acid, and finally cyclized and refluxed for 5 hours.

low toxicity, ld50 (rat, oral) 1100~2500mg/kg.

1. it is prepared by reacting aminoguanidine method with formic acid. the reaction formula is as follows:

2. cyanamide-hydrazine method is produced by the reaction of cyanamide, hydrazine hydrate and formic acid. the reaction formula is as follows:

purpose

non-selective herbicide. pesticide analysis standard samples.