2-Propylbenzimidazole (5465-29-2)

The 2-Propylbenzimidazole is an organic compound with the formula C₁₀H₁₂N₂. The IUPAC name of this chemical is 2-propyl-1H-benzimidazole. With the CAS registry number 5465-29-2, it is also named as 1H-Benzimidazole, 2-propyl-. The product's category is Benzimidazole.

Physical properties about 2-Propylbenzimidazole are: (1)ACD/LogP: 2.64; (2)ACD/LogD (pH 5.5): 1.57; (3)ACD/LogD (pH 7.4): 2.58; (4)ACD/BCF (pH 5.5): 5.12; (5)ACD/BCF (pH 7.4): 52.25; (6)ACD/KOC (pH 5.5): 55.83; (7)ACD/KOC (pH 7.4): 569.47; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 17.82 Å²; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 50.8 cm³; (14)Molar Volume: 144.4 cm³; (15)Polarizability: 20.13×10^-24cm³; (16)Surface Tension: 48.5 dyne/cm; (17)Density: 1.109 g/cm³; (18)Flash Point: 179.4 °C; (19)Enthalpy of Vaporization: 56.98 kJ/mol; (20)Boiling Point: 348.8 °C at 760 mmHg; (21)Vapour Pressure: 9.87E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by butyraldehyde and benzene-1,2-diamine. This reaction will need reagent copper (II)-acetate and aqueous methanol.

Uses of 2-Propylbenzimidazole: it can be used to produce 1-(1,1,2,3,3,3-Hexafluoropropyl)-2-propylbenzimidazole. It will need reagent aq. KOH and solvent aacetone with reaction time of 1 hour. The yield is about 56%.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c1ccccc1nc2CCC
(2)InChI: InChI=1/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12)
(3)InChIKey: FBLJZPQLNMVEMR-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12)
(5)Std. InChIKey: FBLJZPQLNMVEMR-UHFFFAOYSA-N

The toxicity data is as follows: