15-BROMO-1-PENTADECANOL

The 1-Pentadecanol, 15-bromo-, with the CAS registry number of 59101-27-8, is also known as 15-Bromo-1-pentadecanol. This chemical's molecular formula is C₁₅H₃₁BrO and molecular weight is 307.31. What's more, its systematic name is called 15-Bromopentadecan-1-ol.

Physical properties about 1-Pentadecanol, 15-bromo- are: (1)ACD/LogP: 6.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.58; (4)ACD/LogD (pH 7.4): 6.58; (5)ACD/BCF (pH 5.5): 59127.7; (6)ACD/BCF (pH 7.4): 59127.7; (7)ACD/KOC (pH 5.5): 90621.16; (8)ACD/KOC (pH 7.4): 90621.16; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 80.8 cm³; (15)Molar Volume: 286.8 cm³; (16)Surface Tension: 35 dyne/cm; (17)Density: 1.071 g/cm³; (18)Flash Point: 133 °C; (19)Enthalpy of Vaporization: 71.23 kJ/mol; (20)Boiling Point: 368.9 °C at 760 mmHg; (21)Vapour Pressure: 6.09E-07 mmHg at 25 °C.

Preparation: this chemical is prepared by Pentadecane-1, 15-diol. The reaction needs reagent aq. HBr and solvent Cyclohexane. The yield is about 75 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 15-Dimethylamino-pentadecan-1-ol. The reaction time is 17 hours with reaction temperature of 85 °C. The yield is about 96 %.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCCCCCCCCCCCCCCCO
(2) InChI: InChI=1/C15H31BrO/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h17H,1-15H2
(3) InChIKey: NFKUZUMZRQLYCW-UHFFFAOYAD