Reported in EPA TSCA Inventory.

1-Bromo-4-nitrobenzene is an organic compound with the formula C₆H₄BrNO₂, and its systematic name is the same with the product name. With the CAS registry number 586-78-7, it is also named as p-Bromonitrobenzene. It belongs to the product categories of Nitro Compounds; Nitrogen Compounds; Organic Building Blocks. Its EINECS number is 209-583-8. In addition, the molecular weight is 202.01. Its classification code is Mutation data. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides and light.

Physical properties of 1-Bromo-4-nitrobenzened are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 51.05; (6)ACD/BCF (pH 7.4): 51.05; (7)ACD/KOC (pH 5.5): 581.03; (8)ACD/KOC (pH 7.4): 581.03; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 40.488 cm³; (15)Molar Volume: 117.46 cm³; (16)Polarizability: 16.051×10^-24cm³; (17)Surface Tension: 50.59 dyne/cm; (18)Density: 1.72 g/cm³; (19)Flash Point: 106.59 °C; (20)Enthalpy of Vaporization: 47.018 kJ/mol; (21)Boiling Point: 252.635 °C at 760 mmHg; (22)Vapour Pressure: 0.03 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-nitro-aniline at the temperature of 25 °C. This reaction will need reagents copper(II) bromide, t-butyl thionitrite and solvent acetonitrile with the reaction time of 2 min. The yield is about 78%.

Uses of 1-Bromo-4-nitrobenzene: it can be used to produce bis-(4-bromo-phenyl)-diazene at the ambient temperature. It will need reagents Zn, ammonia and solvent methanol with the reaction time of 18 hours. The yield is about 60%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe dust. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(Br)cc1
(2)Std. InChI: InChI=1S/C6H4BrNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
(3)Std. InChIKey: ZDFBKZUDCQQKAC-UHFFFAOYSA-N