3-METHOXYBENZYL BROMIDE

The m-Methoxybenzyl bromide is an organic compound with the formula C₈H₉BrO. The IUPAC name of this chemical is 1-(bromomethyl)-3-methoxybenzene. With the CAS registry number 874-98-6, it is also named as 3-(Bromomethyl)phenyl methyl ether. The product's categories are Methyl Halides; Phenyls & Phenyl-Het; Methyl Halides; Phenyls & Phenyl-Het. Besides, it is colorless liquid, which should be stored in a dark well-ventilated and dry place.

Physical properties about m-Methoxybenzyl bromide are: (1)ACD/LogP: 2.88; (2)ACD/LogD (pH 5.5): 2.877; (3)ACD/LogD (pH 7.4): 2.877; (4)ACD/BCF (pH 5.5): 90.489; (5)ACD/BCF (pH 7.4): 90.489; (6)ACD/KOC (pH 5.5): 875.273; (7)ACD/KOC (pH 7.4): 875.273; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 9.23 Å²; (11)Index of Refraction: 1.551; (12)Molar Refractivity: 45.58 cm³; (13)Molar Volume: 142.928 cm³; (14)Polarizability: 18.069×10^-24cm³; (15)Surface Tension: 37.163 dyne/cm; (16)Density: 1.407 g/cm³; (17)Flash Point: 95.446 °C; (18)Enthalpy of Vaporization: 45.867 kJ/mol; (19)Boiling Point: 241.111 °C at 760 mmHg; (20)Vapour Pressure: 0.057 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-methoxy-benzyl alcohol. This reaction will need reagent benzene and HBr.

Uses of m-Methoxybenzyl bromide: it can be used to produce 3-methoxybenzyl phenyl sulfide. It will need reagent aq. NaOH, n-Bu₄NBr and solvent abenzene with reaction time of 30 min. The yield is about 87%.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. Please take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cccc(c1)CBr
(2)InChI: InChI=1/C8H9BrO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3
(3)InChIKey: ZKSOJQDNSNJIQW-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H9BrO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3
(5)Std. InChIKey: ZKSOJQDNSNJIQW-UHFFFAOYSA-N