3-Iodobenzyl bromide

The CAS registry number of m-Iodobenzylbromide is 49617-83-6. The IUPAC name is 1-(bromomethyl)-3-iodobenzene. What's more, it is a kind of pale orange to red or brown crystalline powder with the molecular formula C₇H₆BrI. Besides, it should be stored in a cool, ventilated and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 3.95; (2)ACD/LogD (pH 5.5): 3.95; (3)ACD/LogD (pH 7.4): 3.95; (4)ACD/BCF (pH 5.5): 592.33; (5)ACD/BCF (pH 7.4): 592.33; (6)ACD/KOC (pH 5.5): 3358.94; (7)ACD/KOC (pH 7.4): 3358.94; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.656; (10)Molar Refractivity: 51.8 cm³; (11)Molar Volume: 140.9 cm³; (12)Polarizability: 20.53 ×10^-24cm³; (13)Surface Tension: 48.3 dyne/cm; (14)Density: 2.105 g/cm³; (15)Flash Point: 123.9 °C; (16)Enthalpy of Vaporization: 49.91 kJ/mol; (17)Boiling Point: 281.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00615 mmHg at 25°C.

Uses of m-Iodobenzylbromide: it can react with propadienylmagnesium bromide to get 1-but-3-ynyl-3-iodo-benzene. This reaction will need solvents diethyl ether and tetrahydrofuran. The reaction should react for 3 hours at 0 °C to room temperature. The yield is about 91%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. And you can not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In addition, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). Moreover, you must take off all contaminated clothing immediately.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1cc(I)ccc1
(2)Std. InChI: InChI=1S/C7H6BrI/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
(3)Std. InChIKey: BACZSVQZBSCWIG-UHFFFAOYSA-N