4-N-BUTYLCHLOROBENZENE

The Benzene,1-butyl-4-chloro-, with the CAS registry number 15499-27-1, is also known as 4-Chloro-n-butylbenzene. It belongs to the product category of Chlorine Compounds. This chemical's molecular formula is C₁₀H₁₃Cl and molecular weight is 168.6632. Its systematic name is called 1-butyl-4-chlorobenzene.

Physical properties of Benzene,1-butyl-4-chloro-: (1)ACD/LogP: 4.87; (2)ACD/LogD (pH 5.5): 4.87; (3)ACD/LogD (pH 7.4): 4.87; (4)ACD/BCF (pH 5.5): 2946.35; (5)ACD/BCF (pH 7.4): 2946.35; (6)ACD/KOC (pH 5.5): 10590.31; (7)ACD/KOC (pH 7.4): 10590.31; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.509; (10)Molar Refractivity: 49.96 cm³; (11)Molar Volume: 167.2 cm³; (12)Surface Tension: 32.5 dyne/cm; (13)Density: 1.008 g/cm³; (14)Flash Point: 88 °C; (15)Enthalpy of Vaporization: 43.45 kJ/mol; (16)Boiling Point: 216.6 °C at 760 mmHg; (17)Vapour Pressure: 0.204 mmHg at 25°C.

Uses of Benzene,1-butyl-4-chloro-: it can be used to produce 1-(4-butyl-phenyl)-1H-indole at temperature of 80 - 100 °C. This reaction is a kind of Arylation. It will need reagent K₃PO₄, Pd₂(dba)₃, other reagent and solvent toluene. The yield is about 87%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)CCCC
(2)InChI: InChI=1/C10H13Cl/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
(3)InChIKey: SKNUPXIXICTRJE-UHFFFAOYAI