2-bromo-4-(trifluoromethyl)benzaldehyde

The Benzaldehyde,2-bromo-4-(trifluoromethyl)- is an organic compound with the formula C₈H₄BrF₃O. Its CAS registry number is 85118-24-7. Its EINECS registry number is 285-677-2. The IUPAC name of this chemical is 2-Bromo-4-(trifluoromethyl)benzaldehyde.

Physical properties about Benzaldehyde,2-bromo-4-(trifluoromethyl)- are: (1)ACD/LogP: 3.11; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 136.81; (6)ACD/BCF (pH 7.4): 136.81; (7)ACD/KOC (pH 5.5): 1176.63; (8)ACD/KOC (pH 7.4): 1176.63; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 45.67 cm³; (15)Molar Volume: 150.7 cm³; (16)Polarizability: 18.1×10^-24 cm³; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 1.677 g/cm³; (19)Flash Point: 92.9 °C; (20)Enthalpy of Vaporization: 46.66 kJ/mol; (21)Boiling Point: 230 °C at 760 mmHg; (22)Vapour Pressure: 0.0676 mmHg at 25 °C.

Uses of 2-Bromo-4-(trifluoromethyl)benzaldehyde: it can be used to produce other chemicals. For example, it is used to produce ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyanoacrylate with cyanoacetic acid ethyl ester. The reaction occurs with reagent piperidine and other condition of heating for 30 min. The solvent of this reaction is toluene. The yield is 82 %. The reaction equation is as followed:

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1ccc(cc1Br)C(F)(F)F
(2) InChI: InChI=1/C8H4BrF3O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-4H
(3) InChIKey: CUKSTNNYAHZPRM-UHFFFAOYAG