3-(TRIFLUOROMETHYL)BENZAMIDE

The CAS register number of m-(Trifluoromethyl)benzamide is 1801-10-1. It also can be called as 3-(trifluoromethyl)- and the IUPAC about this chemical is 3-(trifluoromethyl)benzamide. The molecular formula about this chemical is C₈H₆F₃NO and the molecular weight is 189.13. It belongs to the following product categories which include Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Amides; Carbonyl Compounds; Organic Building Blocks and so on.

Physical properties about m-(Trifluoromethyl)benzamide are: (1)ACD/LogP: 1.80; (2)ACD/LogD (pH 5.5): 1.8; (3)ACD/LogD (pH 7.4): 1.8; (4)ACD/BCF (pH 5.5): 13.65; (5)ACD/BCF (pH 7.4): 13.65; (6)ACD/KOC (pH 5.5): 226.03; (7)ACD/KOC (pH 7.4): 226.03; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 20.31 Å²; (12)Index of Refraction: 1.478; (13)Molar Refractivity: 40.16 cm³; (14)Molar Volume: 141.6 cm³; (15)Polarizability: 15.92x10^-24cm³; (16)Surface Tension: 32.7 dyne/cm; (17)Density: 1.335 g/cm³; (18)Flash Point: 99.7 °C; (19)Enthalpy of Vaporization: 47.83 kJ/mol; (20)Boiling Point: 241.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0361 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-bromo-3-trifluoromethyl-benzene and carbon monoξde. This reaction will need catalytic agent Pd(OAc)₂ and reagent DMAP, formamide and Pph₃. The reaction time is 18 hour(s) with reaction temperature of 120 °C and pressure 3750.3. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use this chemical, 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: FC(F)(F)c1cccc(C(=O)N)c1
(2)InChI: InChI=1/C8H6F3NO/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H2,12,13)
(3)InChIKey: XBGXGCOLWCMVOI-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H6F3NO/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H2,12,13)
(5)Std. InChIKey: XBGXGCOLWCMVOI-UHFFFAOYSA-N