Benzene,1-(bromomethyl)-4-iodo- (16004-15-2)

The IUPAC name of p-Iodobenzyl bromide is 1-(bromomethyl)-4-iodobenzene. With the CAS registry number 16004-15-2, it is also named as Benzene, 1-(bromomethyl)-4-iodo-. The product's categories are Fluorobenzene; Aromatic Halides (substituted); Methyl Halides; Phenyls & Phenyl-Het; Methyl Halides; Halogenated Hydrocarbons; Aryl. It is light yellow adhering crystalline powder.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.95; (2)# of Rule of 5 Violations: 0; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 1; (5)Index of Refraction: 1.656; (6)Molar Refractivity: 51.8 cm³; (7)Molar Volume: 140.9 cm³; (8)Polarizability: 20.53×10^-24 cm³; (9)Surface Tension: 48.3 dyne/cm; (10)Enthalpy of Vaporization: 47.77 kJ/mol; (11)Boiling Point: 260.1 °C at 760 mmHg; (12)Vapour Pressure: 0.0202 mmHg at 25°C; (13)Rotatable Bond Count: 1; (14)Exact Mass: 295.869756; (15)MonoIsotopic Mass: 295.869756; (16)Heavy Atom Count: 9; (17)Complexity: 77.

Preparation of p-Iodobenzyl bromide: It can be obtained by 1-iodo-4-methyl-benzene. This reaction needs reagent NBS and AIBN and solvent CCl₄ by heating. The yield is 87%. 

Uses of p-Iodobenzyl bromide: It can react with 2-isopropylamino-ethanol to get 2-[(4-iodo-benzyl)-isopropyl-amino]-ethanol. This reaction needs reagent K₂CO₃ and solvent acetonitrile at temperature of 80 °C. The reaction time is 4.0 hours. The yield is 85%.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. And it is also irritating to eyes, respiratory system and skin, so people should not breathe vapour. In addition, this chemical has possible risk of harm to the unborn child. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:BrCc1ccc(I)cc1
2. InChI:InChI=1/C7H6BrI/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2
3. InChIKey:BQTRMYJYYNQQGK-UHFFFAOYAW