2-Bromo-4-chloroaniline

The Benzenamine,2-bromo-4-chloro-, with the CAS registry number 873-38-1, is also known as 4-Chloro-2-Bromoaniline. It belongs to the product categories of Amines; Blocks; Bromides; Anilines, Amides & Amines; Bromine Compounds; Chlorine Compounds; C2 to C6; Nitrogen Compounds. Its EINECS number is 212-837-0. This chemical's molecular formula is C₆H₅BrClN and molecular weight is 206.47. What's more, its systematic name is 2-bromo-4-chloroaniline.

Physical properties of Benzenamine,2-bromo-4-chloro- are: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 105.18; (6)ACD/BCF (pH 7.4): 105.21; (7)ACD/KOC (pH 5.5): 974.74; (8)ACD/KOC (pH 7.4): 974.98; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 43.07 cm³; (15)Molar Volume: 119.8 cm³; (16)Polarizability: 17.07×10^-24cm³; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.722 g/cm³; (19)Flash Point: 114 °C; (20)Enthalpy of Vaporization: 50.28 kJ/mol; (21)Boiling Point: 264.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00944 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-chloro-aniline at the ambient temperature. This reaction will need reagents KBr, Na₂WO₄, 30% aq. H₂O₂, AcOH with the reaction time of 1 hour. The yield is about 75%.

Uses of Benzenamine,2-bromo-4-chloro-: it can be used to produce acetic acid-(2-bromo-4-chloro-anilide) at the temperature of 23 °C. It will need reagent pyridine and solvent CH₂Cl₂ with the reaction time of 19 hours. The yield is about 97.9%.

When you are using this chemical, please be cautious about it as the following:
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. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Br)c(N)cc1
(2)Std. InChI: InChI=1S/C6H5BrClN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
(3)Std. InChIKey: SYTBIFURTZACKR-UHFFFAOYSA-N