1-Bromo-6-chlorohexane

The Hexane,1-bromo-6-chloro-, with the CAS registry number 6294-17-3 and EINECS registry number 228-555-6, has the systematic name of 1-bromo-6-chlorohexane. It belongs to the following product categories: Bromo Chloro; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; omega-Haloalkyl Chlorides; Alkyl; Halogenated Hydrocarbons; Organic Building Blocks. And the molecular formula of the chemical is C₆H₁₂BrCl.

The characteristics of Hexane,1-bromo-6-chloro- are as followings: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 263.18; (6)ACD/BCF (pH 7.4): 263.18; (7)ACD/KOC (pH 5.5): 1879.41; (8)ACD/KOC (pH 7.4): 1879.41; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 42.42 cm³; (15)Molar Volume: 152.1 cm³; (16)Polarizability: 16.81×10^-24cm³; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 1.311 g/cm³; (19)Flash Point: 101.1 °C; (20)Enthalpy of Vaporization: 43.52 kJ/mol; (21)Boiling Point: 217.4 °C at 760 mmHg; (22)Vapour Pressure: 0.196 mmHg at 25°C.

Uses of Hexane,1-bromo-6-chloro-: It can react with 1-(2,5-dihydroxy-phenyl)-propan-1-one to produce 1-[5-(6-chloro-hexyloxy)-2-hydroxy-phenyl]-propan-1-one. This reaction will need reagent K₂CO₃, and the menstruum butan-2-one. The reaction time is 16 hours with heating, and the yield is about 83%.  

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer), and avoid contact with skin and eyes.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCCCCCCCl
(2)InChI: InChI=1/C6H12BrCl/c7-5-3-1-2-4-6-8/h1-6H2
(3)InChIKey: JTYUIAOHIYZBPB-UHFFFAOYAO