2-HYDROXY-5-(TRIFLUOROMETHOXY)BENZALDEHYDE

The Benzaldehyde,2-hydroxy-5-(trifluoromethoxy)- is an organic compound with the formula C₈H₅F₃O₃. It belongs to the product category of Aromatic Aldehydes & Derivatives (substituted). With the CAS registry number 93249-62-8, its systematic name is 2-hydroxy-5-(trifluoromethoxy)benzaldehyde.

Physical properties of Benzaldehyde,2-hydroxy-5-(trifluoromethoxy)-: (1)ACD/LogP: 2.56; (2)ACD/LogD (pH 5.5): 2.56; (3)ACD/LogD (pH 7.4): 2.33; (4)ACD/BCF (pH 5.5): 51.55; (5)ACD/BCF (pH 7.4): 30.75; (6)ACD/KOC (pH 5.5): 583.63; (7)ACD/KOC (pH 7.4): 348.19; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.512; (12)Molar Refractivity: 42.02 cm³; (13)Molar Volume: 139.9 cm³; (14)Surface Tension: 38 dyne/cm; (15)Density: 1.473 g/cm³; (16)Flash Point: 85.4 °C; (17)Enthalpy of Vaporization: 47.25 kJ/mol; (18)Boiling Point: 217.6 °C at 760 mmHg; (19)Vapour Pressure: 0.0894 mmHg at 25°C.

Uses of Benzaldehyde,2-hydroxy-5-(trifluoromethoxy)-: it can be used to produce 4-(2-hydroxy-5-trifluoromethoxy-phenyl)-but-3-en-2-one at 20 °C. This reaction is a kind of Claisen-Schmidt condensation. It will need reagent NaOH and solvent H₂O. The yield is about 77%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc(OC(F)(F)F)ccc1O
(2)InChI: InChI=1/C8H5F3O3/c9-8(10,11)14-6-1-2-7(13)5(3-6)4-12/h1-4,13H
(3)InChIKey: WQUZBERVMUEJTD-UHFFFAOYAQ