1-(4'-Iodophenyl)butane

The Benzene,1-butyl-4-iodo-, with CAS registry number 20651-67-6, belongs to the following product categories: Iodine Compounds. It has the systematic name of 1-butyl-4-iodobenzene. This chemical is a kind of clear yellow liquid. And the chemical formula of this chemical is C₁₀H₁₃I.

Physical properties of Benzene,1-butyl-4-iodo-: (1)ACD/LogP: 5.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.3; (4)ACD/LogD (pH 7.4): 5.3; (5)ACD/BCF (pH 5.5): 6326.09; (6)ACD/BCF (pH 7.4): 6326.09; (7)ACD/KOC (pH 5.5): 18299.72; (8)ACD/KOC (pH 7.4): 18299.72; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 57.97 cm³; (15)Molar Volume: 177.3 cm³; (16)Polarizability: 22.98×10^-24cm³; (17)Surface Tension: 37.5 dyne/cm; (18)Enthalpy of Vaporization: 46.59 kJ/mol; (19)Vapour Pressure: 0.0383 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(4-Butylphenyl)-3,3-(1,5-pentanediyl)triazene. This reaction will need reagent zinc iodide and solvent acetonitrile. The reaction time is 2 hour(s) with reaction temperature of 20 ℃. The yield is about 70%.

Uses of Benzene,1-butyl-4-iodo-: it can be used to produce (4-butyl-phenyl)-phenyl-amine. This reaction will need reagents NaO-t-Bu, Pd(dba)2/1,1'-bis(di-tert-butylphosphino)ferrocene and solvent toluene. The reaction time is 24 hour(s). The yield is about 95%.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1)CCCC
(2)InChI: InChI=1/C10H13I/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
(3)InChIKey: XILRUONFYBUYIE-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H13I/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
(5)Std. InChIKey: XILRUONFYBUYIE-UHFFFAOYSA-N