128364-67-0

The 1-Benzyl-3-methyl-1H-indazole, with the CAS registry number 128364-67-0, belongs to the product categories of Indoles and derivatives. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C₁₅H₁₄N₂.

The physical properties of 1-Benzyl-3-methyl-1H-indazole are as following: (1)ACD/LogP: 4.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.1; (4)ACD/LogD (pH 7.4): 4.1; (5)ACD/BCF (pH 5.5): 764.14; (6)ACD/BCF (pH 7.4): 764.54; (7)ACD/KOC (pH 5.5): 4030.07; (8)ACD/KOC (pH 7.4): 4032.15; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 70.85 cm³; (15)Molar Volume: 203.1 cm³; (16)Polarizability: 28.08×10^-24cm³; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 187.1 °C; (20)Enthalpy of Vaporization: 60.97 kJ/mol; (21)Boiling Point: 385.7 °C at 760 mmHg; (22)Vapour Pressure: 8.3E-06 mmHg at 25°C.

Preparation of 1-Benzyl-3-methyl-1H-indazole: This chemical can be prepared by benzyl-[1-(2-bromo-phenyl)-1-methoxy-ethyl]-diazene, and the other product is benzyl-(1-methoxy-1-phenyl-ethyl)-diazene. The reaction will need reagents Bu₃SnH and AIBN, and the solvent benzene. The reaction temperature is 80°C, and the yield is about 70%. 

You can still convert the following datas into molecular structure:
(1)SMILES: Cc3nn(Cc1ccccc1)c2ccccc23
(2)InChI: InChI=1/C15H14N2/c1-12-14-9-5-6-10-15(14)17(16-12)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3
(3)InChIKey: LZTZFGBSJUIHRJ-UHFFFAOYAD