8-Bromo-1-octanol

The 8-Bromo-1-octanol with CAS registry number of 50816-19-8 is also known as Octan-1-ol, 8-bromo-. The IUPAC name is 8-Bromooctan-1-ol. It belongs to product categories of Omega-Bromoalkanols; Oomega-Functional Alkanols, Carboxylic Acids, Amines & Halides; Linear Hydrocarbon Series. Its EINECS registry number is 256-785-7. In addition, the formula is C₈H₁₇BrO and the molecular weight is 209.12. This chemical should be stored in sealed containers in cool and dry place.

Physical properties about 8-Bromo-1-octanol are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 88.11; (6)ACD/BCF (pH 7.4): 88.11; (7)ACD/KOC (pH 5.5): 858.71; (8)ACD/KOC (pH 7.4): 858.71; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.476; (13)Molar Refractivity: 48.37 cm³; (14)Molar Volume: 171.2 cm³; (15)Surface Tension: 35.9 dyne/cm; (16)Density: 1.22 g/cm³; (17)Flash Point: 105.2 °C; (18)Enthalpy of Vaporization: 60.47 kJ/mol; (19)Boiling Point: 282.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000403 mmHg at 25 °C.

Preparation of 8-Bromo-1-octanol: it is prepared by reaction of 1,6-octanediol, 47% hydrobromic acid, cuprous bromide and heptane. The yield is about 95%.

Uses of 8-Bromo-1-octanol: it is used to produce 8-phenylselanyl-octan-1-ol by reaction with diphenyl-diselane. The reaction occurs with reagent sodium borohydride and solvent ethanol at ambient temperature. The yield is about 96%.

When you are using this chemical, please be cautious about it. During using it, do not breathe gas/fumes/vapour/spray and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C(CCCCBr)CCCO
2. InChI: InChI=1S/C8H17BrO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2
3. InChIKey: GMXIEASXPUEOTG-UHFFFAOYSA-N