2-BROMOMETHYL-1,4-BENZODIOXANE

The 1,4-Benzodioxin,2-(bromomethyl)-2,3-dihydro-, with the CAS registry number 2164-34-3, is also known as 2-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine. It belongs to the product categories of Miscellaneous; BenzodioxanesHeterocyclic Building Blocks; Benzodioxanes; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks. Its EINECS registry number is 218-503-0. This chemical's molecular formula is C9H₉BrO₂ and molecular weight is 229.0706. What's more, its IUPAC name is 3-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine.

Physical properties about this chemical are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 53.49; (6)ACD/BCF (pH 7.4): 53.49; (7)ACD/KOC (pH 5.5): 600.81; (8)ACD/KOC (pH 7.4): 600.81; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 49.45 cm³; (15)Molar Volume: 152.5 cm³; (16)Polarizability: 19.6×10^-24 cm³; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.501 g/cm³; (19)Flash Point: 132.5 °C; (20)Enthalpy of Vaporization: 50.64 kJ/mol; (21)Boiling Point: 288.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00409 mmHg at 25 °C.

Preparation of 1,4-Benzodioxin,2-(bromomethyl)-2,3-dihydro-: this chemical can be prepared by (2,3-Dihydro-benzo[1,4]dioxin-2-yl)-methanol. This reaction needs reagent Dibromotriphenylphosphorane and solvent Acetonitrile for 30 mins.

Use of 1,4-Benzodioxin,2-(bromomethyl)-2,3-dihydro-: it is used to produce other chemicals. For example, it is used to produce 1-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidin-4-yl]-1,3-dihydro-benzoimidazol-2-on. The reaction occurs with reagents Et₃N and NaI. And it needs solvent Dimethylformamide at ambient temperature for 60 hours. The yield is 33%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes. It is toxic to aquatic organisms, so it may cause long-term adverse effects in the aquatic environment. And this material and its container must be disposed of as hazardous waste. It is avoided releasing to the environment. The last, you should refer to special instructions/safety data sheet. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCC1Oc2ccccc2OC1
(2) InChI: InChI=1/C9H9BrO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6H2
(3) InChIKey: QYLFKNVZIFTCIY-UHFFFAOYAO