Benzene,cyclohexyl-

The Phenylcyclohexane with CAS registry number of 827-52-1 is also known as Benzene,cyclohexyl-. The IUPAC name is Cyclohexylbenzene. It belongs to product categories of Biphenyl & Diphenyl Ether. Its EINECS registry number is 212-572-0. In addition, the formula is C₁₂H₁₆ and the molecular weight is 160.26. What's more, it is a colourless liquid and should be sealed in cool, dry place.

Physical properties about Phenylcyclohexane are: (1)ACD/LogP: 4.74; (2)ACD/LogD (pH 5.5): 4.74; (3)ACD/LogD (pH 7.4): 4.74; (4)ACD/BCF (pH 5.5): 2348.77; (5)ACD/BCF (pH 7.4): 2348.77; (6)ACD/KOC (pH 5.5): 9004.16; (7)ACD/KOC (pH 7.4): 9004.16; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.522; (10)Molar Refractivity: 52.11 cm³; (11)Molar Volume: 170.6 cm³; (12)Surface Tension: 34.5 dyne/cm; (13)Density: 0.939 g/cm³; (14)Flash Point: 93.2 °C; (15)Enthalpy of Vaporization: 46.01 kJ/mol; (16)Boiling Point: 242.6 °C at 760 mmHg; (17)Vapour Pressure: 0.0524 mmHg at 25 °C.

Preparation of Phenylcyclohexane: Firstly, cyclohexene is added to benzene and sulfuric acid mixture under stirring at the temperature of 10-20 °C for 0.5-1 hour. Then the mixture is heated for another 1 hour. Secondly, reservoir is washed by water and lye, and then it is fractionated. At last, product is obtained by collecting distillate at 230-260 °C and distillate at the boiling point.

Uses of Phenylcyclohexane: it is used to produce 1-cyclohexyl-4-nitro-benzene. The reaction occurs with reagents HNO₃, HOAc at the temperature of -10 °C for 30 minutes. The yield is about 57%.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, skin and it is harmful if swallowed. What's more, it is very toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste. During using it, avoid release to the environment. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1CCC(CC1)C2=CC=CC=C2
2. InChI: InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
3. InChIKey: IGARGHRYKHJQSM-UHFFFAOYSA-N

The toxicity data is as follows: