3-(TRIFLUOROMETHYL)ACETANILIDE

The Acetamide, N-[3-(trifluoromethyl)phenyl]-, with the CAS registry number of 351-36-0, is also known as 3-(Trifluoromethyl)acetanilide and Acetanilide, 3-(trifluoromethyl)-. It belongs to the product categories of Anilines, Amides & Amines; Fluorine Compounds. Its EINECS registry number is 206-512-2. This chemical's molecular formula is C₉H₈F₃NO and molecular weight is 203.16. What's more, its IUPAC name is N-[3-(Trifluoromethyl)phenyl]acetamide. Besides, it can be stored at room temperature.

Physical properties about Acetamide, N-[3-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.67; (6)ACD/BCF (pH 7.4): 27.67; (7)ACD/KOC (pH 5.5): 374.8; (8)ACD/KOC (pH 7.4): 374.8; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 45.5 cm³; (15)Molar Volume: 156 cm³; (16)Polarizability: 18.03×10^-24 cm³; (17)Surface Tension: 31 dyne/cm; (18)Density: 1.302 g/cm³; (19)Flash Point: 130.4 °C; (20)Enthalpy of Vaporization: 53.15 kJ/mol; (21)Boiling Point: 292 °C at 760 mmHg; (22)Vapour Pressure: 0.00188 mmHg at 25 °C; (23)Melting Point: 103-106 °C(lit. ).

Uses: it is used to produce other chemicals. For example, it is used to produce N-(2-Fluoro-3-trifluoromethyl-phenyl)-acetamide. This reaction needs reagent CH₃COOF. Meanwhile, it needs solvents CH₂Cl₂ and CCl₃F. The reaction temperature is -75 ℃. The yield is about 34 %.

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 harmful if swallowed. During using it, wear suitable protective clothing. 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(Nc1cc(ccc1)C(F)(F)F)C
(2) InChI: InChI=1/C9H8F3NO/c1-6(14)13-8-4-2-3-7(5-8)9(10,11)12/h2-5H,1H3,(H,13,14)
(3) InChIKey: HNIPNANLYHXYDE-UHFFFAOYAI

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	250mg/kg (250mg/kg)		National Technical Information Service. Vol. AD277-689,
mouse	LD50	oral	550mg/kg (550mg/kg)		Toxicology and Applied Pharmacology. Vol. 19, Pg. 20, 1971.