METHOXYPHENONE

The Methanone,(4-methoxy-3-methylphenyl)(3-methylphenyl)-, with the CAS registry number 41295-28-7, is also known as 3,3'-Dimethyl-4-methoxybenzophenone. Its EINECS number is 255-300-6. This chemical's molecular formula is C₁₆H₁₆O₂ and molecular weight is 240.3. What's more, its systematic name is (4-methoxy-3-methylphenyl)(3-methylphenyl)methanone. Its classification codes are: (1)Agricultural Chemical; (2)Herbicide.

Physical properties of Methanone,(4-methoxy-3-methylphenyl)(3-methylphenyl)- are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 842.17; (6)ACD/BCF (pH 7.4): 842.17; (7)ACD/KOC (pH 5.5): 4321.19; (8)ACD/KOC (pH 7.4): 4321.19; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 72.37 cm³; (15)Molar Volume: 224.1 cm³; (16)Polarizability: 28.69×10^-24 cm³; (17)Surface Tension: 38.6 dyne/cm; (18)Density: 1.072 g/cm³; (19)Flash Point: 174.4 °C; (20)Enthalpy of Vaporization: 64.06 kJ/mol; (21)Boiling Point: 391 °C at 760 mmHg; (22)Vapour Pressure: 2.54E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-methyl-benzoyl chloride and 1-methoxy-2-methyl-benzene at the temperature of °C. This reaction will need reagent AlCl₃ and solvent CHCl₃ with the reaction time of 1 hour. The yield is about 95%.

Uses of Methanone,(4-methoxy-3-methylphenyl)(3-methylphenyl)-: it can be used to produce (3-bromomethyl-4-methoxy-phenyl)-(3-bromomethyl-phenyl)-methanone by heating. It will need reagents NBS, benzoyl peroxide and solvent CCl₄ with the reaction time of 4 hours. The yield is about 70%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(c1ccc(OC)c(c1)C)c2cccc(c2)C
(2)InChI: InChI=1/C16H16O2/c1-11-5-4-6-13(9-11)16(17)14-7-8-15(18-3)12(2)10-14/h4-10H,1-3H3
(3)InChIKey: BWPYBAJTDILQPY-UHFFFAOYAP

The toxicity data is as follows: