The Acetamide,2-chloro-N-(3-chloro-4-fluorophenyl)- is an organic compound with the formula C8H6Cl2FNO. The IUPAC name of this chemical is 2-chloro-N-(3-chloro-4-fluorophenyl)acetamide. With the CAS registry number 96980-64-2, it is also named as 2,3'-Dichloro-4'-fluoroacetanilide.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 86.14; (6)ACD/BCF (pH 7.4): 86.12; (7)ACD/KOC (pH 5.5): 844.93; (8)ACD/KOC (pH 7.4): 844.8; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.584; (13)Molar Refractivity: 50.26 cm3; (14)Molar Volume: 150 cm3; (15)Polarizability: 19.92×10-24 cm3; (16)Surface Tension: 46.7 dyne/cm; (17)Enthalpy of Vaporization: 60.93 kJ/mol; (18)Vapour Pressure: 1.83E-05 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 2; (21)Exact Mass: 220.981047; (22)MonoIsotopic Mass: 220.981047; (23)Topological Polar Surface Area: 29.1; (24)Heavy Atom Count: 13; (25)Complexity: 191.
Preparation of Acetamide,2-chloro-N-(3-chloro-4-fluorophenyl)-: It can be obtained by chloroacetyl chloride and 3-chloro-4-fluoro-aniline. This reaction needs reagent pyridine and solvent benzene at ambient temperature. The reaction time is 1 hours. The yield is 90%.
Uses of Acetamide,2-chloro-N-(3-chloro-4-fluorophenyl)-: It can react with 4-chloro-3-methyl-phenol to get N-(3-chloro-4-fluoro-phenyl)-2-(4-chloro-3-methyl-phenoxy)-acetamide. This reaction needs reagent K2CO3 and solvent acetone by heating. The reaction time is 4.0 hours. The yield is 75%.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also 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:Fc1ccc(NC(=O)CCl)cc1Cl
2. InChI:InChI=1/C8H6Cl2FNO/c9-4-8(13)12-5-1-2-7(11)6(10)3-5/h1-3H,4H2,(H,12,13)
3. InChIKey:DJPAQYXQRCWKEH-UHFFFAOYAD
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