ANISOLE-2,4,6-D3

The Benzene-1, 3, 5-d₃, 2-methoxy-, with the CAS registry number 2567-25-1, is also known as Anisole-2, 4, 6-d₃. This chemical's molecular formula is C₇H₅D₃O and molecular weight is 111.16. What's more, its systematic name is 1, 3, 5-Trideuterio-2-methoxy-benzene.

Physical properties about Benzene-1, 3, 5-d₃, 2-methoxy- are: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.13; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Vapour Pressure: 4.24 mmHg at 25 °C; (9)Index of Refraction: 1.492; (10)Molar Refractivity: 32.93 cm³; (11)Molar Volume: 113.4 cm³; (12)Polarizability: 13.05×10^-24 cm³; (13)Surface Tension: 29.3 dyne/cm; (14)Density: 0.979 g/cm³; (15)Flash Point: 44.5 °C; (16)Enthalpy of Vaporization: 38.97 kJ/mol; (17)Boiling Point: 153.6 °C at 760 mmHg.

Preparation of Benzene-1, 3, 5-d₃, 2-methoxy-: this chemical is prepared by Methoxybenzene. This reaction needs catalyst (1, 3-(2, 6-(CD₃)₂-4Me-C₆H₂)₂-2-imidazolidinyl)Ru(D)₂(D₂)₂PCy₃ and solvent Benzene-d₆. The reaction time is 14 hours with reaction temperature of 20 °C. The yield is about 20 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is flammable, and it may catch fire on contacting with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]c1cc([2H])cc([2H])c1OC
(2) InChI: InChI=1/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3/i2D,5D,6D
(3) InChIKey: RDOXTESZEPMUJZ-UJESMPABEW