2'-BROMO-4'-CHLOROACETANILIDE

The CAS register number of N-(2-Bromo-4-chloro-phenyl)acetamide is 57045-85-9. It also can be called as acetamide, N-(2-bromo-4-chlorophenyl)- and the systematic name about this chemical is N-(2-bromo-4-chlorophenyl)acetamide. The molecular formula about this chemical is C₈H₇BrClNO and the molecular weight is 248.5. It belongs to the following product categories which include Anilines, Amides & Amines; Bromine Compounds; Chlorine Compounds and so on.

Physical properties about N-(2-Bromo-4-chloro-phenyl)acetamide are: (1)ACD/LogP: 2.25; (2)ACD/LogD (pH 5.5): 2.25; (3)ACD/LogD (pH 7.4): 2.25; (4)ACD/BCF (pH 5.5): 30.29; (5)ACD/BCF (pH 7.4): 30.29; (6)ACD/KOC (pH 5.5): 399.88; (7)ACD/KOC (pH 7.4): 399.88; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 20.31Ų; (12)Index of Refraction: 1.622; (13)Molar Refractivity: 53.1 cm³; (14)Molar Volume: 150.6 cm³; (15)Polarizability: 21.05x10^-24cm³; (16)Surface Tension: 48.4 dyne/cm; (17)Enthalpy of Vaporization: 61.77 kJ/mol; (18)Boiling Point: 370.7 °C at 760 mmHg; (19)Vapour Pressure: 1.08E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid anhydride and 2-bromo-4-chloro-aniline. This reaction will need reagent pyridine and solvent CH₂Cl₂. The reaction time is 19 hour(s) with reaction temperature of 23 °C. The yield is about 97.9%.

Uses of N-(2-Bromo-4-chloro-phenyl)acetamide: it can be used to produce N-acetyl-2-pentyn-1-yl-4-chloroaniline with 1-pentynyl-tributyl tin at temperature of 100 ℃. This reaction will need reagent tetrakis(triphenylphosphine)palladium and solvent toluene with reaction time of 3.5 hours. The yield is about 81.2%.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(Cl)ccc1NC(=O)C
(2)InChI: InChI=1/C8H7BrClNO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12)
(3)InChIKey: FXRJRUAYMSVQKU-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H7BrClNO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12)
(5)Std. InChIKey: FXRJRUAYMSVQKU-UHFFFAOYSA-N