4-OCTYLPYRIDINE

The CAS register number of Pyridine, 4-octyl- is 40089-91-6. It also can be called as Octylpyridine and the IUPAC name about this chemical is 2-octylpyridine. The molecular formula about this chemical is C₁₃H₂₁N and the molecular weight is 191.31.

Physical properties about Pyridine, 4-octyl- are: (1)ACD/LogP: 4.91; (2)ACD/LogD (pH 5.5): 4.18; (3)ACD/LogD (pH 7.4): 4.88; (4)ACD/BCF (pH 5.5): 591.51; (5)ACD/BCF (pH 7.4): 2984.95; (6)ACD/KOC (pH 5.5): 2086.16; (7)ACD/KOC (pH 7.4): 10527.46; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 12.89 Å²; (11)Index of Refraction: 1.486; (12)Molar Refractivity: 61.69 cm³; (13)Molar Volume: 214.5 cm³; (14)Polarizability: 24.45x10^-24cm³; (15)Surface Tension: 33.6 dyne/cm; (16)Density: 0.891 g/cm³; (17)Flash Point: 141.5 °C; (18)Enthalpy of Vaporization: 50.03 kJ/mol; (19)Boiling Point: 282.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00576 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-chloro-pyridine and octylmagnesium bromide. This reaction needs catalytic agent of Ni(dppp)Cl₂. The yield is about 47%.

Uses of Pyridine, 4-octyl-: it can be used to produce 2-Amino-4-n-octylpyridin. This reaction will need reagent of NaNH₂ and various solvents. The reaction time is 6 hours with reaction temperature of 150 °C. The yield is about 56%.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccc(cc1)CCCCCCCC
(2)InChI: InChI=1/C13H21N/c1-2-3-4-5-6-7-8-13-9-11-14-12-10-13/h9-12H,2-8H2,1H3
(3)InChIKey: IJVGJECZAOTXGV-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C13H21N/c1-2-3-4-5-6-7-8-13-9-11-14-12-10-13/h9-12H,2-8H2,1H3
(5)Std. InChIKey: IJVGJECZAOTXGV-UHFFFAOYSA-N