2-Bromo-5-nitroaniline

The Benzenamine,2-bromo-5-nitro-, with CAS registry number 10403-47-1, belongs to the following product categories: (1)Anilines, Aromatic Amines and Nitro Compounds; (2)Amines; (3)C2 to C6; (4)Nitrogen Compounds. It has the systematic name of 2-bromo-5-nitroaniline. This chemical is a kind of dark yellow to khaki fine crystalline needles. What's more, its EINECS is 233-874-9.

Physical properties of Benzenamine,2-bromo-5-nitro-: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 43.43; (6)ACD/BCF (pH 7.4): 43.43; (7)ACD/KOC (pH 5.5): 517.52; (8)ACD/KOC (pH 7.4): 517.52; (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: 1.669; (14)Molar Refractivity: 44.72 cm³; (15)Molar Volume: 119.7 cm³; (16)Polarizability: 17.73×10^-24cm³; (17)Surface Tension: 64.3 dyne/cm; (18)Enthalpy of Vaporization: 57.75 kJ/mol; (19)Vapour Pressure: 0.000127 mmHg at 25°C.

Uses of p-Chloropropiophenone: it can be used to produce 2-amino-4-nitro-4'-methoxystilbene. This reaction will need reagents Et₃N, tri(o-tolyl)phosφne, Pd(OAc)₂ and solvent dimethylformamide. The reaction time is 24 hour(s) with reaction temperature of 120 ℃. The yield is about 79%.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,2-bromo-5-nitro- 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: Brc1ccc([N+]([O-])=O)cc1N
(2)InChI: InChI=1/C6H5BrN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
(3)InChIKey: BAAUCXCLMDAZEL-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H5BrN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
(5)Std. InChIKey: BAAUCXCLMDAZEL-UHFFFAOYSA-N