Undecane, 1,11-dibromo- (16696-65-4)

The 1,11-Dibromoundecane with the cas number 16696-65-4 is also called Undecane, 1,11-dibromo-. Its EINECS registry number is 240-745-0. The molecular formula is C₁₁H₂₂Br₂. This chemical belongs to the following product categories: (1)alpha,omega-Bifunctional Alkanes; (2)alpha,omega-Dibromoalkanes; (3)Monofunctional & alpha,omega-Bifunctional Alkanes.

The properties of the chemical are: (1)ACD/LogP: 6.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.32; (4)ACD/LogD (pH 7.4): 6.32; (5)ACD/BCF (pH 5.5): 37613.07; (6)ACD/BCF (pH 7.4): 37613.07; (7)ACD/KOC (pH 5.5): 65555.75; (8)ACD/KOC (pH 7.4): 65555.75; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 68.47 cm³; (15)Molar Volume: 236.4 cm³; (16)Polarizability: 27.14×10^-24cm³; (17)Surface Tension: 34.7 dyne/cm; (18)Enthalpy of Vaporization: 54.69 kJ/mol; (19)Vapour Pressure: 0.00039 mmHg at 25°C.

Uses: This chemical can react with 2-hydroxy-benzaldehyde to product 1,11-bis(2-formylphenoxy)undecane. This reaction needs reagent potassium hydroxide and solvent ethanol at heating condition. The yield is 83.6%.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCCCCCCCCCBr
(2)InChI: InChI=1/C11H22Br2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-11H2
(3)InChIKey: SIBVHGAPHVRHMJ-UHFFFAOYAE