4-BROMO-3-CHLOROTOLUENE

The Benzene,1-bromo-2-chloro-4-methyl-, with CAS registry number 6627-51-6, belongs to the following product categories: (1)Bromine Compounds; (2)Chlorine Compounds. It has the systematic name of 1-bromo-2-iodobenzene. And its IUPAC name is 1-bromo-2-chloro-4-methylbenzene. And the chemical formula of this chemical is C₇H₆BrCl.

Physical properties of Benzene,1-bromo-2-chloro-4-methyl-: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.93; (4)ACD/LogD (pH 7.4): 3.93; (5)ACD/BCF (pH 5.5): 575.95; (6)ACD/BCF (pH 7.4): 575.95; (7)ACD/KOC (pH 5.5): 3292.19; (8)ACD/KOC (pH 7.4): 3292.19; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 46.84 cm³; (15)Molar Volume: 127.6 cm³; (16)Polarizability: 18.57×10^-24cm³; (17)Surface Tension: 46.4 dyne/cm; (18)Enthalpy of Vaporization: 46.72 kJ/mol; (19)Vapour Pressure: 0.0357 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-2-chloro-4-methyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccccc1Br
(2)InChI: InChI=1/C6H4BrI/c7-5-3-1-2-4-6(5)8/h1-4H
(3)InChIKey: OIRHKGBNGGSCGS-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H4BrI/c7-5-3-1-2-4-6(5)8/h1-4H
(5)Std. InChIKey: OIRHKGBNGGSCGS-UHFFFAOYSA-N