4-BROMO-2,6-DIETHYLANILINE

The Benzenamine,4-bromo-2,6-diethyl-, with the CAS registry number 56746-19-1, is also known as 2,6-Diethyl-4-bromoaniline. This chemical's molecular formula is C₁₀H₁₄BrN and molecular weight is 228.13. What's more, its systematic name is 4-bromo-2,6-diethylaniline.

Physical properties of Benzenamine,4-bromo-2,6-diethyl- are: (1)ACD/LogP: 4.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.03; (4)ACD/LogD (pH 7.4): 4.03; (5)ACD/BCF (pH 5.5): 678.17; (6)ACD/BCF (pH 7.4): 683.79; (7)ACD/KOC (pH 5.5): 3691.82; (8)ACD/KOC (pH 7.4): 3722.43; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 57.27 cm³; (15)Molar Volume: 173.5 cm³; (16)Polarizability: 22.7×10^-24cm³; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.314 g/cm³; (19)Flash Point: 130.8 °C; (20)Enthalpy of Vaporization: 53.22 kJ/mol; (21)Boiling Point: 292.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00181 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,6-diethyl-aniline at the ambient temperature. This reaction will need reagent Br₂ and solvent pyridine with the reaction time of 45 min. The yield is about 80%.

Uses of Benzenamine,4-bromo-2,6-diethyl-: it can be used to produce 3,5-diethyl-biphenyl-4-ylamine by heating. It will need reagents 2M Na₂CO₃, tetra-kis(triphenylphosphine)-palladium and solvents toluene, ethanol with the reaction time of 48 hours. The yield is about 32%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1=CC(=CC(=C1N)CC)Br
(2)InChI: InChI=1S/C10H14BrN/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6H,3-4,12H2,1-2H3
(3)InChIKey: BEJYDMQQZUACPW-UHFFFAOYSA-N