N-CHLOROACETYL-2,4-DIFLUOROANILINE

The Acetamide,2-chloro-N-(2,4-difluorophenyl)- is an organic compound with the formula C₈H₆ClF₂NO. The IUPAC name of this chemical is 2-chloro-N-(2,4-difluorophenyl)acetamide. With the CAS registry number 96980-65-3, it is also named as N1-(2,4-difluorophenyl)-2-chloroacetamide.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.61; (6)ACD/BCF (pH 7.4): 15.61; (7)ACD/KOC (pH 5.5): 248.85; (8)ACD/KOC (pH 7.4): 248.75; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.55; (13)Molar Refractivity: 45.36 cm³; (14)Molar Volume: 142.3 cm³; (15)Polarizability: 17.98×10^-24 cm³; (16)Surface Tension: 42.6 dyne/cm; (17)Enthalpy of Vaporization: 55.42 kJ/mol; (18)Vapour Pressure: 0.000506 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 2; (21)Exact Mass: 205.010598; (22)MonoIsotopic Mass: 205.010598; (23)Topological Polar Surface Area: 29.1; (24)Heavy Atom Count: 13; (25)Complexity: 191.

Preparation of Acetamide,2-chloro-N-(2,4-difluorophenyl)-: It can be obtianed by chloroacetyl chloride and 2,4-difluoro-aniline. This reaction needs reagent Et₃N and solvent tetrahydrofuran at temperature of 0 °C. The reaction time is 10 hours. The yield is 99%.  

Uses of Acetamide,2-chloro-N-(2,4-difluorophenyl)-: It can react with 2-mercapto-1-phenyl-ethanone to get N-(2,4-difluoro-phenyl)-2-(2-oxo-2-phenyl-ethylsulfanyl)-acetamide. This reaction needs reagent K₂CO₃ and solvent tetrahydrofuran at temperature of 50 °C. The reaction time is 6 hours. The yield is 88%.

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, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(Nc1ccc(F)cc1F)CCl
2. InChI:InChI=1/C8H6ClF2NO/c9-4-8(13)12-7-2-1-5(10)3-6(7)11/h1-3H,4H2,(H,12,13)
3. InChIKey:TUPPVAAGWXKMRC-UHFFFAOYAR