5-BROMO-2-IODOTOLUENE

The Benzene,4-bromo-1-iodo-2-methyl-, with its CAS registry number 116632-39-4, has the IUPAC name of 4-bromo-1-iodo-2-methylbenzene. And it has the molecular formula of C₇H₆BrI. Besides, it belongs to the product categories which include Aromatic Halides (substituted); Halogen toluene; Bromine Compounds; Iodine Compounds; Aryl; C7; Halogenated Hydrocarbons. For being a kind of clear slightly yellow to light red-pink liquid, this chemical is sensitive to light and you should keep it at RT.

The characteristics of Benzene,4-bromo-1-iodo-2-methyl- are as follows: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.41; (4)ACD/LogD (pH 7.4): 4.41; (5)ACD/BCF (pH 5.5): 1324.96; (6)ACD/BCF (pH 7.4): 1324.96; (7)ACD/KOC (pH 5.5): 5976.82; (8)ACD/KOC (pH 7.4): 5976.82; (9)Polar Surface Area: 0 Ų; (10)Index of Refraction: 1.636; (11)Molar Refractivity: 51.67 cm³; (12)Molar Volume: 143.9 cm³; (13)Polarizability: 20.48×10^-24cm³; (14)Surface Tension: 44.1 dyne/cm; (15)Density: 2.062 g/cm³; (16)Flash Point: 113.6 °C; (17)Enthalpy of Vaporization: 48.18 kJ/mol; (18)Boiling Point: 264.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0161 mmHg at 25°C; (20)Exact Mass: 295.869756; (21)MonoIsotopic Mass: 295.869756; (22)Topological Polar Surface Area: 0; (23)Heavy Atom Count: 9; (24)Complexity: 94.9; (25)Covalently-Bonded Unit Count: 1.

When you are using this chemical, you should be careful. This is a kind of flammable chemical and you should wear suitable protective clothing, gloves and eye/face protection and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: CC1=C(C=CC(=C1)Br)I
(2)InChI: InChI=1S/C7H6BrI/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
(3)InChIKey: GHTUADBHTFHMNI-UHFFFAOYSA-N