N-(CHLOROACETYL)-4-FLUOROANILINE

The Acetamide, 2-chloro-N-(4-fluorophenyl)-, with the CAS registry number of 351-04-2, is also known as N-(Chloroacetyl)-4-fluoroaniline. This chemical's molecular formula is C₈H₇ClFNO and molecular weight is 187.6. What's more, its IUPAC name is 2-Chloro-N-(4-fluorophenyl)acetamide.

Physical properties about Acetamide, 2-chloro-N-(4-fluorophenyl)- are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.07; (6)ACD/BCF (pH 7.4): 20.07; (7)ACD/KOC (pH 5.5): 297.85; (8)ACD/KOC (pH 7.4): 297.84; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 45.36 cm³; (15)Molar Volume: 138.1 cm³; (16)Polarizability: 17.98×10^-24 cm³; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.358 g/cm³; (19)Flash Point: 157.1 °C; (20)Enthalpy of Vaporization: 57.94 kJ/mol; (21)Boiling Point: 336.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000114 mmHg at 25 °C; (23)Melting Point: 131 °C.

Preparation: this chemical is prepared by reaction of Chloroacetyl chloride with 4-Fluoro-aniline at heating. The reaction needs solvent Ethyl acetate. The reaction time is 3 hours. The yield is about 100 %.

Uses: it is used to produce other chemicals. For example, it is used to produce N-(4-Fluoro-phenyl)-2-[1, 2, 4]triazol-1-yl-acetamide at heating. The reaction time is 5 hours. This reaction needs reagent Sodium carbonate and solvent Acetonitrile. The yield is about 70 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ccc(F)cc1)CCl
(2) InChI: InChI=1/C8H7ClFNO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12)
(3) InChIKey: JDAWWCJBFPBHFL-UHFFFAOYAJ