4-Bromo-2-methyl-6-nitroaniline

The Benzenamine,4-bromo-2-methyl-6-nitro-, with CAS registry number 77811-44-0, belongs to the following product categories: (1)Anilines, Aromatic Amines and Nitro Compounds; (2)Anilines, Amides & Amines; (3)Bromine Compounds; (4)Nitro Compounds; (5)Amines; (6)C7; (7)Nitrogen Compounds. It has the systematic name of 4-bromo-2-methyl-6-nitroaniline. This chemical is a kind of orange to orange-brown glistening crystals.

Physical properties of Benzenamine,4-bromo-2-methyl-6-nitro-: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 161.36; (6)ACD/BCF (pH 7.4): 161.36; (7)ACD/KOC (pH 5.5): 1324.17; (8)ACD/KOC (pH 7.4): 1324.17; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.06 Å²; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 49.54 cm³; (15)Molar Volume: 136 cm³; (16)Polarizability: 19.64×10^-24cm³; (17)Surface Tension: 58.8 dyne/cm; (18)Density: 1.698 g/cm³; (19)Flash Point: 151.4 °C; (20)Enthalpy of Vaporization: 56.91 kJ/mol; (21)Boiling Point: 326.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000211 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-6-nitro-aniline. This reaction will need reagent N-bromosuccinimide and solvent CCl₄. The yield is about 60%.

Uses of Benzenamine,4-bromo-2-methyl-6-nitro-: it can be used to produce 5-bromo-7-nitro-1H-indazole. This reaction will need reagents NaNO₂, AcOH. The yield is about 64%.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,4-bromo-2-methyl-6-nitro- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. 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: Brc1cc(c(N)c(c1)C)[N+]([O-])=O
(2)InChI: InChI=1/C7H7BrN2O2/c1-4-2-5(8)3-6(7(4)9)10(11)12/h2-3H,9H2,1H3
(3)InChIKey: ZXFVKFUXKFPUQJ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H7BrN2O2/c1-4-2-5(8)3-6(7(4)9)10(11)12/h2-3H,9H2,1H3
(5)Std. InChIKey: ZXFVKFUXKFPUQJ-UHFFFAOYSA-N