2-BROMO-5-NITROTOLUENE

This chemical is called 2-Bromo-5-nitrotoluene, and its IUPAC name is 1-bromo-2-methyl-4-nitrobenzene. With the molecular formula of C₇H₆BrNO₂, its molecular weight is 216.03. The CAS registry number of this chemical is 7149-70-4, and its product categories are Aromatic Hydrocarbons (substituted) & Derivatives; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks. In addition, this chemical is cream-colored crystalline powder.

Other characteristics of the 2-Bromo-5-nitrotoluene can be summarised as followings: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 45.82 Å²; (7)Index of Refraction: 1.592; (8)Molar Refractivity: 45.31 cm³; (9)Molar Volume: 133.7 cm³; (10)Polarizability: 17.96×10^-24cm³; (11)Surface Tension: 47.3 dyne/cm; (12)Density: 1.615 g/cm³; (13)Flash Point: 121.9 °C; (14)Enthalpy of Vaporization: 49.58 kJ/mol; (15)Boiling Point: 278 °C at 760 mmHg; (16)Vapour Pressure: 0.0074 mmHg at 25°C.

Production method of this chemical: The 2-Bromo-5-nitrotoluene could be obtained by the reactant of 1-bromo-2-methyl-benzene. This reaction needs the reagent of HNO₃, and the solvent of aq. H₂SO₄. The yield is 33.6 %. In addition, this reaction should be taken at the temperature of 25 °C.

Uses of this chemical: The 4-bromo-3-methyl-aniline could be obtained by the reactant of 2-Bromo-5-nitrotoluene. This reaction needs the reagents of In, aq. HCl, and the solvent of tetrahydrofuran. The yield is 84 %. This reaction should be taken for 1 hour at the temperature of 20 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation, in contacting with skin and if swallowed. Do not breathe dust. Wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

You can still convert the following datas into molecular structure: 
1.SMILES: Brc1ccc([N+]([O-])=O)cc1C
2.InChI: InChI=1/C7H6BrNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3
3.InChIKey: HIMGPQVBNICCGL-UHFFFAOYAP