2-METHOXY-5-(TRIFLUOROMETHOXY)BENZALDEHYDE (145742-65-0)

The 2-Methoxy-5-(trifluoromethoxy)benzaldehyde, with the CAS registry number 145742-65-0, is also known as 5-(Trifluoromethoxy)-o-anisaldehyde. It belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted); Adehydes, Acetals & Ketones; Anisoles, Alkyloxy Compounds & Phenylacetates and Fluorine Compounds. This chemical's molecular formula is C₉H₇F₃O₃ and molecular weight is 220.14. What's more, both its IUPAC name and systematic name are the same which is called 2-Methoxy-5-(trifluoromethoxy)benzaldehyde.

Physical properties about 2-Methoxy-5-(trifluoromethoxy)benzaldehyde are: (1) ACD/LogP: 2.81; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.81; (4) ACD/LogD (pH 7.4): 2.81; (5) ACD/BCF (pH 5.5): 79.95; (6) ACD/BCF (pH 7.4): 79.95; (7) ACD/KOC (pH 5.5): 801; (8) ACD/KOC (pH 7.4): 801; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 35.53 Å²; (13) Index of Refraction: 1.477; (14) Molar Refractivity: 46.81 cm³; (15) Molar Volume: 165.4 cm³; (16) Surface Tension: 30.6 dyne/cm; (17) Density: 1.33 g/cm³; (18) Flash Point: 100.7 °C; (19) Enthalpy of Vaporization: 48.51 kJ/mol; (20) Boiling Point: 247.9 °C at 760 mmHg; (21) Vapour Pressure: 0.025 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating and may cause inflammation to the skin or other mucous membranes. Therefore, you should be cautious about it.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)Oc1ccc(OC)c(C=O)c1
(2) InChI: InChI=1/C9H7F3O3/c1-14-8-3-2-7(4-6(8)5-13)15-9(10,11)12/h2-5H,1H3
(3) InChIKey: ATRDCTRZAJKDPL-UHFFFAOYAP