Acetamide,2-bromo-N-methyl-N-phenyl- (29182-97-6)

The 2-Bromo-N-methyl-N-phenylacetamide with the CAS number 29182-97-6 is also called Acetamide,2-bromo-N-methyl-N-phenyl-. Its molecular formula is C₉H₁₀BrNO. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 12.97; (6)ACD/BCF (pH 7.4): 12.97; (7)ACD/KOC (pH 5.5): 217.96; (8)ACD/KOC (pH 7.4): 217.96; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 52.96 cm³; (15)Molar Volume: 154.2 cm³; (16)Polarizability: 20.99×10^-24cm³; (17)Surface Tension: 48.1 dyne/cm; (18)Enthalpy of Vaporization: 51.59 kJ/mol; (19)Vapour Pressure: 0.00455 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of bromoacetyl bromide and N-methyl-aniline. This reaction needs reagent diethyl ether.

Uses: This chemical can react with 3-nitro-phenol to prepare N-methyl-2-(3-nitro-phenoxy)-N-phenyl-acetamide. This reaction needs reagent K₂CO₃ and solvent dimethylformamide at temperature of 70 °C. The yield is 89%.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCC(=O)N(c1ccccc1)C
(2)InChI: InChI=1/C9H10BrNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
(3)InChIKey: YLDILLQKQASWBA-UHFFFAOYAO

The toxicity data is as follows: