2-BROMO-4-(TRIFLUOROMETHYL)ACETANILIDE

The Acetamide,2-bromo-N-[4-(trifluoromethyl)phenyl]-, with CAS registry number 3823-19-6, belongs to the following product categories: (1)Amines; (2)Blocks; (3)Bromides; (4)FluoroCompounds. It has the systematic name of N-[2-bromo-4-(trifluoromethyl)phenyl]acetamide. And the chemical formula of this chemical is C₉H₇BrF₃NO.

Physical properties of Acetamide,2-bromo-N-[4-(trifluoromethyl)phenyl]-: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.25; (6)ACD/BCF (pH 7.4): 44.25; (7)ACD/KOC (pH 5.5): 524.49; (8)ACD/KOC (pH 7.4): 524.49; (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: 1.529; (14)Molar Refractivity: 53.19 cm³; (15)Molar Volume: 172.2 cm³; (16)Polarizability: 21.08×10^-24cm³; (17)Surface Tension: 34.9 dyne/cm; (18)Density: 1.637 g/cm³; (19)Flash Point: 149.9 °C; (20)Enthalpy of Vaporization: 56.62 kJ/mol; (21)Boiling Point: 324.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000249 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Acetamide,2-bromo-N-[4-(trifluoromethyl)phenyl]- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Brc1cc(ccc1NC(=O)C)C(F)(F)F
(2)InChI: InChI=1/C9H7BrF3NO/c1-5(15)14-8-3-2-6(4-7(8)10)9(11,12)13/h2-4H,1H3,(H,14,15)
(3)InChIKey: SSPBNPXYQLCJTA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H7BrF3NO/c1-5(15)14-8-3-2-6(4-7(8)10)9(11,12)13/h2-4H,1H3,(H,14,15)
(5)Std. InChIKey: SSPBNPXYQLCJTA-UHFFFAOYSA-N