2-Bromo-5-chloronitrobenzene

The CAS register number of 2-Bromo-5-chloronitrobenzene is 41513-04-6. It also can be called as 4-Bromo-3-nitrochlorobenzene and the IUPAC name about this chemical is 1-bromo-4-chloro-2-nitrobenzene. The molecular formula about this chemical is C₆H₃BrClNO₂ and the molecular weight is 236.45. It belongs to the following product categories, such as Miscellaneous; Bromine Compounds; Chlorine Compounds; Nitro Compounds; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks and so on. This chemical will not decompose under normal circumstance but there is no risk. If you want to store it, please keep it in a closed container and store it in a cool, dry place.

Physical properties about 2-Bromo-5-chloronitrobenzene are: (1)ACD/LogP: 3.15; (2)ACD/LogD (pH 5.5): 3.15; (3)ACD/LogD (pH 7.4): 3.15; (4)ACD/BCF (pH 5.5): 145.34; (5)ACD/BCF (pH 7.4): 145.34; (6)ACD/KOC (pH 5.5): 1228.71; (7)ACD/KOC (pH 7.4): 1228.71; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.82Ų; (11)Index of Refraction: 1.618; (12)Molar Refractivity: 45.38 cm³; (13)Molar Volume: 129.4 cm³; (14)Polarizability: 17.99x10^-24cm³; (15)Surface Tension: 52.9 dyne/cm; (16)Enthalpy of Vaporization: 46 kJ/mol; (17)Boiling Point: 242.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0527 mmHg at 25°C.

Uses of 2-Bromo-5-chloronitrobenzene: it can be used to produce N-(4-chloro-2-nitrophenyl)anthranilic acid with 2-amino-benzoic acid at heating. This reaction is a kind of Ullmann reaction. It will need reagent K₂CO₃, Cu and solvent various solvent(s) with reaction time of 4 hours. The yield is about 74%.

When you are using this chemical, please be cautious about it as the following:
This chemical is hrmful by inhalation, in contact with skin and if swallowed and it is tating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also need do not breathe dust. In case of 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: O=[N+]([O-])c1cc(Cl)ccc1Br
(2)InChI: InChI=1/C6H3BrClNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H
(3)InChIKey: UKTIMFAJRPSNGR-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H3BrClNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H
(5)Std. InChIKey: UKTIMFAJRPSNGR-UHFFFAOYSA-N