2-(Trifluoromethyl)benzaldehyde

The 2-(Trifluoromethyl)benzaldehyde, with the CAS registry number 447-61-0, is a kind of clear colorless to slightly yellow liquid. For being sensitive to air, its product categories are including Aromatic Aldehydes & Derivatives (substituted); Benzene series; Benzaldehyde; Miscellaneous; Benzotrifluoride Series.

The physical properties of this chemical are as below: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 56.87; (6)ACD/BCF (pH 7.4): 56.87; (7)ACD/KOC (pH 5.5): 627.7; (8)ACD/KOC (pH 7.4): 627.7; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 37.98 cm³; (15)Molar Volume: 134.6 cm³; (16)Polarizability: 15.05×10^-24 cm³; (17)Surface Tension: 27.9 dyne/cm; (18)Density: 1.293 g/cm³; (19)Flash Point: 61.1 °C; (20)Enthalpy of Vaporization: 43.05 kJ/mol; (21)Boiling Point: 194.3 °C at 760 mmHg; (22)Vapour Pressure: 0.445 mmHg at 25°C; (23)Exact Mass: 174.029249; (24)MonoIsotopic Mass: 174.029249; (25)Topological Polar Surface Area: 17.1; (26)Heavy Atom Count: 12; (27)Complexity: 164.

Use of this chemical: 2-(Trifluoromethyl)benzaldehyde could react with morpholine to produce 2-(dimorpholinomethyl)-1-(trifluoromethyl)benzene. This chemical could react in the presence of the solvent of benzene, and it requires the reaction time of 2 hours with the yield of 83%.

The production method of this chemical: 2-(dimorpholinomethyl)-1-(trifluoromethyl)benzene could react to produce 2-(Trifluoromethyl)benzaldehyde and 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-hydroperoxy-heptan-1-ol. This reaction could happen in the presence of the reagent of o-trifluoromethyl-1-hydroperoxybenzylalcohol and the solvent of diethyl ether.

When you are dealing with this chemical, you should be very careful. For being irritating to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C=O)C(F)(F)F
(2)InChI: InChI=1S/C8H5F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-5H
(3)InChIKey: ZDVRPKUWYQVVDX-UHFFFAOYSA-N