Amitrole
Structural formula
| Business number | 01C3 |
|---|---|
| Molecular formula | C2H4N4 |
| Molecular weight | 84.08 |
| label |
3-amino-1,2,4-triazole, 1,2,4-Triazol-3-amine, 3-AT, Amitrol, herbicide, Heterocyclic compounds |
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
p>
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.
