2'-BROMO-4'-METHYLACETANILIDE

The Acetamide, N-(2-bromo-4-methylphenyl)-, with the CAS registry number of 614-83-5, is also known as N-Acetyl-2-bromo-p-toluidine and 2-Bromo-4-methylactanilide. It belongs to the product categories of Anilines, Amides & Amines; Bromine Compounds. This chemical's molecular formula is C₉H₁₀BrNO and molecular weight is 228.09. What's more, its IUPAC name is N-(2-Bromo-4-methylphenyl)acetamide. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Acetamide, N-(2-bromo-4-methylphenyl)- are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 13.6; (6)ACD/BCF (pH 7.4): 13.6; (7)ACD/KOC (pH 5.5): 225.47; (8)ACD/KOC (pH 7.4): 225.47; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 53.03 cm³; (15)Molar Volume: 154.9 cm³; (16)Polarizability: 21.02×10^-24 cm³; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.471 g/cm³; (19)Flash Point: 165.4 °C; (20)Enthalpy of Vaporization: 59.44 kJ/mol; (21)Boiling Point: 349.9 °C at 760 mmHg; (22)Vapour Pressure: 4.57E-05 mmHg at 25°C; (23)Melting Point: 118-121 °C(lit. ).

Preparation: this chemical is prepared by N-p-Tolyl-acetamide at ambient temperature. The reaction needs reagents KBr, (NH₄)₂MoO₄, 30 % aq. H₂O₂, AcOH. The reaction time is 1 hour. The yield is about 77 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 4-Acetylamino-3-bromo-benzoic acid. This reaction needs reagent O₂ and solvent Acetic acid. Meanwhile, it needs catalysts Cobalt acetate tetrahydrate and NaBr. Other condition of this reaction is reaction time of 80 minutes at 100 °C. The yield is about 97.8 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(ccc1NC(=O)C)C
(2) InChI: InChI=1/C9H10BrNO/c1-6-3-4-9(8(10)5-6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
(3) InChIKey: UUDGTWKIIUEVJD-UHFFFAOYAE