4-(Trifluoromethyl)acetanilide

The 4-(Trifluoromethyl)acetanilide, with the CAS registry number 349-97-3, is also known as p-(Trifluoromethyl)acetanilide. It belongs to the product categories of Anilines, Amides & Amines; Fluorine Compounds. Its EINECS number is 206-495-1. This chemical's molecular formula is C₉H₈F₃NO and molecular weight is 203.16. What's more, its systematic name is N-[4-(trifluoromethyl)phenyl]acetamide.

Physical properties of 4-(Trifluoromethyl)acetanilide are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/BCF (pH 5.5): 48.8; (5)ACD/KOC (pH 5.5): 562.56; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 20.31 Å²; (10)Index of Refraction: 1.495; (11)Molar Refractivity: 45.5 cm³; (12)Molar Volume: 156 cm³; (13)Surface Tension: 31 dyne/cm; (14)Density: 1.302 g/cm³; (15)Flash Point: 134.8 °C; (16)Enthalpy of Vaporization: 53.93 kJ/mol; (17)Boiling Point: 299.3 °C at 760 mmHg; (18)Vapour Pressure: 0.0012 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid anhydride, 4-trifluoromethyl-aniline at the ambient temperature. This reaction will need reagent Et₃N and solvent CH₂Cl₂ with the reaction time of 1 hour. The yield is about 95%.

Uses of 4-(Trifluoromethyl)acetanilide: it can be used to produce N-(2-fluoro-4-trifluoromethyl-phenyl)-acetamide at the temperature of -75 °C. It will need reagent CH₃COOF and solvent CH₂Cl₂, CCl₃F. The yield is about 72%.

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 contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC1=CC=C(C=C1)C(F)(F)F
(2)InChI: InChI=1S/C9H8F3NO/c1-6(14)13-8-4-2-7(3-5-8)9(10,11)12/h2-5H,1H3,(H,13,14)
(3)InChIKey: DFDHFECLWHHELH-UHFFFAOYSA-N