Benzene,1-methoxy-3-(trifluoromethoxy)- (142738-94-1)

The Benzene,1-methoxy-3-(trifluoromethoxy)-, with its CAS registry number 142738-94-1, has the IUPAC name of 1-methoxy-3-(trifluoromethoxy)benzene. With its chemical formula of C₈H₇F₃O₂, it is usually applied as the intermediate in organic synthesis.

The characteristics of this chemical are as below: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 105.47; (6)ACD/BCF (pH 7.4): 105.47; (7)ACD/KOC (pH 5.5): 976.73; (8)ACD/KOC (pH 7.4): 976.73; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 40.06 cm³; (15)Molar Volume: 153.8 cm³; (16)Polarizability: 15.88×10^-24 cm³; (17)Surface Tension: 25 dyne/cm; (18)Density: 1.249 g/cm³; (19)Flash Point: 58.2 °C; (20)Enthalpy of Vaporization: 38.27 kJ/mol; (21)Boiling Point: 162.5 °C at 760 mmHg; (22)Vapour Pressure: 2.82 mmHg at 25°C; (23)Exact Mass: 192.039814; (24)MonoIsotopic Mass: 192.039814; (25)Topological Polar Surface Area: 18.5; (26)Heavy Atom Count: 13; (27)Complexity: 158.

When you are dealing with this chemical, you should be cautious. For one thing, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. For another thing, it is highly flammable which may catch fire in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water. 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.

Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: COC1=CC(=CC=C1)OC(F)(F)F
(2)InChI: InChI=1S/C8H7F3O2/c1-12-6-3-2-4-7(5-6)13-8(9,10)11/h2-5H,1H3
(3)InChIKey: OKSRAPDSZKICKZ-UHFFFAOYSA-N