11-bromoundecanoyl chloride

The Undecanoyl chloride,11-bromo- is an organic compound with the formula C₁₁H₂₀BrClO. The IUPAC name of this chemical is 11-Bromoundecanoyl chloride. With the CAS registry number 15949-84-5, it is also named as 11-Bromoundecanoic acid chloride. Besides, its molecular weight is 283.6329.

Physical properties about Undecanoyl chloride,11-bromo- are: (1)ACD/LogP: 5.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.1; (4)ACD/LogD (pH 7.4): 5.1; (5)ACD/BCF (pH 5.5): 4430.78; (6)ACD/BCF (pH 7.4): 4430.78; (7)ACD/KOC (pH 5.5): 14182.19; (8)ACD/KOC (pH 7.4): 14182.19; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 10; (11)Polar Surface Area: 17.07 Å²; (12)Index of Refraction: 1.478; (13)Molar Refractivity: 65.62 cm³; (14)Molar Volume: 231.7 cm³; (15)Polarizability: 26.01×10^-24 cm³; (16)Surface Tension: 35.4 dyne/cm; (17)Density: 1.223 g/cm³; (18)Flash Point: 144.4 °C; (19)Enthalpy of Vaporization: 55.63 kJ/mol; (20)Boiling Point: 315.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000446 mmHg at 25 °C.

Preparation: this chemical can be prepared by 11-Bromo-undecanoic acid. This reaction will need reagent SOCl₂, and solvent Toluene. The reaction time is 24 hours with reaction temperature of 20 °C.

Uses of Undecanoyl chloride,11-bromo-: it can be used to produce 11-Brom-undecansaeure-(1)-dimethylamid. It will need solvent Benzene with reaction time of 3 hours. The yield is about 77%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H20BrClO/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2
(2)InChIKey: QWHOIFRYXGBPRO-UHFFFAOYAM
(3)Std. InChI: InChI=1S/C11H20BrClO/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2
(4)Std. InChIKey: QWHOIFRYXGBPRO-UHFFFAOYSA-N