ALPHA-BROMO-3-IODO-4-NITROTOLUENE

The 4-(Bromomethyl)-2-iodo-1-nitro-benzene, with the CAS registry number of 214279-41-1, is also known as alpha-Bromo-3-iodo-4-nitrotoluene,97%. It belongs to the product category of Aromatic Halides (substituted). This chemical's molecular formula is C₇H₅BrINO₂ and molecular weight is 341.93. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the 4-(Bromomethyl)-2-iodo-1-nitro-benzene are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 3.46; (5)ACD/BCF (pH 5.5): 252.62; (6)ACD/BCF (pH 7.4): 252.62; (7)ACD/KOC (pH 5.5): 1825.12; (8)ACD/KOC (pH 7.4): 1825.12; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 58.35 cm³; (15)Molar Volume: 152.8 cm³; (16)Surface Tension: 61.1 dyne/cm; (17)Density: 2.237 g/cm³; (18)Flash Point: 182.7 °C; (19)Enthalpy of Vaporization: 60.18 kJ/mol; (20)Boiling Point: 378.5 °C at 760 mmHg; (21)Vapour Pressure: 1.37E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it may causes burns. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, 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 where possible).

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1ccc(cc1I)CBr
(2) InChI: InChI=1/C7H5BrINO2/c8-4-5-1-2-7(10(11)12)6(9)3-5/h1-3H,4H2
(3) InChIKey: SETQWQQIMOUZRS-UHFFFAOYAC