Metamitron

The Metamitron, with the CAS registry number 41394-05-2 and EINECS registry number 255-349-3, has the systematic name of 4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one. And the molecular formula of this chemical is C₁₀H₁₀N₄O. It belongs to the following product categories: Heterocyclic Compounds; Herbicide; Building Blocks; Heterocyclic Building Blocks; Triazines.

The physical properties of Metamitron are as following: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): 0.83; (5)ACD/BCF (pH 5.5): 2.52; (6)ACD/BCF (pH 7.4): 2.52; (7)ACD/KOC (pH 5.5): 67.37; (8)ACD/KOC (pH 7.4): 67.38; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48.27 Å²; (13)Index of Refraction: 1.672; (14)Molar Refractivity: 56.17 cm³; (15)Molar Volume: 149.9 cm³; (16)Polarizability: 22.27×10^-24cm³; (17)Surface Tension: 55.7 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 156.9 °C; (20)Enthalpy of Vaporization: 57.89 kJ/mol; (21)Boiling Point: 335.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000117 mmHg at 25°C.

Uses of Metamitron: It can be used to produce N-acetyl-N'-benzoyl-hydrazine and 3-methyl-6-phenyl-4H-[1,2,4]triazin-5-one. This reaction will need reagent O₂, and solvent H₂O. The reaction time is 5 hours with temperature of 19.85°C and PH 4-9, and the yield is about 80%.

You should be cautious while dealing with this chemical. It is harmful if swallowed, and it is also very toxic to aquatic organisms. Therefore, you had better avoid release to the environment. Refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(/C(=N\N=C2\c1ccccc1)C)N
(2)InChI: InChI=1/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3
(3)InChIKey: VHCNQEUWZYOAEV-UHFFFAOYAW

The toxicity data is as follows: