2-(4-BROMOPHENYL)-1,3-DIOXOLANE

The 1,3-Dioxolane,2-(4-bromophenyl)-, with the CAS registry number 106128-89-6, is also known as 4-Bromobenzaldehyde ethylene acetal. It belongs to the product categories of Dioxanes & Dioxolanes; Dioxolanes. This chemical's molecular formula is C₉H₉BrO₂ and molecular weight is 229.07. What's more, its systematic name is 2-(4-bromophenyl)-1,3-dioxolane. It should be sealed and stored in a cool and dry place. 

Physical properties of 1,3-Dioxolane,2-(4-bromophenyl)- are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/BCF (pH 5.5): 39.19; (5)ACD/KOC (pH 5.5): 480.87; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 18.46 Ų; (10)Index of Refraction: 1.564; (11)Molar Refractivity: 49.18 cm³; (12)Molar Volume: 151.1 cm³; (13)Surface Tension: 45.7 dyne/cm; (14)Density: 1.515 g/cm³; (15)Flash Point: 131.2 °C; (16)Enthalpy of Vaporization: 50.44 kJ/mol; (17)Boiling Point: 286.4 °C at 760 mmHg; (18)Vapour Pressure: 0.00456 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-bromo-benzaldehyde, ethane-1,2-diol by heating. This reaction will need reagent p-TsOH and solvent toluene with the reaction time of 24 hours. The yield is about 95%.

Uses of 1,3-Dioxolane,2-(4-bromophenyl)-: it can be used to produce 2-(4-bromo-phenyl)-2-dichloromethyl-[1,3]dioxolane at the temperature of 30 - 35 °C. It will need reagent NaOH and catalyst triethylbenzylammonium chloride (TEBAC) with the reaction time of 30 hours. The yield is about 66%.

When you are using this chemical, please be cautious about it as the following:
You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you must avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)C2OCCO2
(2)InChI: InChI=1S/C9H9BrO2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4,9H,5-6H2
(3)InChIKey: ZYIMHOWVWWHLDN-UHFFFAOYSA-N