3-Phenyltoluene

The 3-Phenyltoluene, with the CAS registry number 643-93-6, is also known as 3-Methylbiphenyl. It belongs to the product categories of Biphenyl Derivatives; Phenyls & Phenyl-Het; Biphenyl & Diphenyl Ether; Phenyls & Phenyl-Het. Its EINECS registry number is 211-404-3. This chemical's molecular formula is C₁₃H₁₂ and molecular weight is 168.23. What's more, its IUPAC name is called 1-Methyl-3-phenylbenzene. It should be stored in a cool, dry and well-ventilated place.

Physical properties about 3-Phenyltoluene are: (1)ACD/LogP: 4.634; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.63; (4)ACD/LogD (pH 7.4): 4.63; (5)ACD/BCF (pH 5.5): 1959.12; (6)ACD/BCF (pH 7.4): 1959.12; (7)ACD/KOC (pH 5.5): 7907.77; (8)ACD/KOC (pH 7.4): 7907.77; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 55.67 cm³; (15)Molar Volume: 170.993 cm³; (16)Polarizability: 22.069×10^-24cm³; (17)Surface Tension: 35.805 dyne/cm; (18)Density: 0.984 g/cm³; (19)Flash Point: 113.756 °C; (20)Enthalpy of Vaporization: 49.043 kJ/mol; (21)Boiling Point: 272.699 °C at 760 mmHg; (22)Vapour Pressure: 0.010 mmHg at 25 °C.

Preparation of 3-Phenyltoluene: this chemical can be prepared by 3-methyl-aniline with benzene. The reaction occurs with reagent t-BuSNO₂ and other condition of heating for 6 hours. The yield is 35 %.

Uses of 3-Phenyltoluene: it is used to produce other chemicals. For example, it can produce 3-phenyl-benzyl bromide. This reaction needs reagents NBS, benzoyl peroxide and solvent CCl₄ heating for 4 hours.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes, respiratory system and skin. Therefore, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: c2c(c1cccc(c1)C)cccc2
(2) InChI: InChI=1S/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H3
(3) InChIKey: NPDIDUXTRAITDE-UHFFFAOYSA-N