1,3-Dioxane,2-(2-bromoethyl)- (33884-43-4)

The 2-(2-Bromoethyl)-1,3-dioxane, with the CAS registry number 33884-43-4 and EINECS registry number 251-716-7, belongs to the following product categories: Aliphatics; Halides; Dioxanes; Dioxanes & Dioxolanes. It should be stored at 2-8°C. And the molecular formula of the chemical is C₆H₁₁BrO₂.

The characteristics of 2-(2-Bromoethyl)-1,3-dioxane are as followings: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 2.62; (6)ACD/BCF (pH 7.4): 2.62; (7)ACD/KOC (pH 5.5): 69.36; (8)ACD/KOC (pH 7.4): 69.36; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 38.71 cm³; (15)Molar Volume: 139.2 cm³; (16)Polarizability: 15.34×10^-24cm³; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.4 g/cm³; (19)Flash Point: 96.7 °C; (20)Enthalpy of Vaporization: 43.89 kJ/mol; (21)Boiling Point: 221.1 °C at 760 mmHg; (22)Vapour Pressure: 0.162 mmHg at 25°C.

Preparation of 2-(2-Bromoethyl)-1,3-dioxane: This chemical can be prepared by propenal and propane-1,3-diol. The reaction will need reagent HBr. The reaction time is 1 hour with ambient temperature, and the yield is about 74%. 

Uses of 2-(2-Bromoethyl)-1,3-dioxane: It can react with [1,3]dithiane to produce 2-(1,3-Dioxan-2-yl)-1-(1,3-dithianyl)ethane. This reaction will need reagent HMPT, and the menstruum tetrahydrofuran. The yield is about 86%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCCC1OCCCO1
(2)InChI: InChI=1/C6H11BrO2/c7-3-2-6-8-4-1-5-9-6/h6H,1-5H2
(3)InChIKey: WMDHQEHPOVOEOG-UHFFFAOYAA