CYCLOHEXYLDIPHENYLPHOSPHINE OXIDE

The Phosphine oxide,cyclohexyldiphenyl-, with the CAS registry number 13689-20-8, is also known as Diphenylcyclohexylphosphine oxide. This chemical's molecular formula is C₁₈H₂₁OP and molecular weight is 284.33. What's more, its systematic name is Cyclohexyl(diphenyl)phosphane oxide and its EINECS number is 237-204-6. The product is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Besides, it should be protected from oxidizers.

Physical properties of Phosphine oxide,cyclohexyldiphenyl- are: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.8; (4)ACD/LogD (pH 7.4): 3.8; (5)ACD/BCF (pH 5.5): 457.8; (6)ACD/BCF (pH 7.4): 457.8; (7)ACD/KOC (pH 5.5): 2793.28; (8)ACD/KOC (pH 7.4): 2793.28; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.88 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 83.92 cm³; (15)Molar Volume: 256.1 cm³; (16)Polarizability: 33.26×10^-24 cm³; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.1 g/cm³; (19)Flash Point: 194 °C; (20)Enthalpy of Vaporization: 62.23 kJ/mol; (21)Boiling Point: 397.2 °C at 760 mmHg; (22)Vapour Pressure: 3.7E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by (1-Hydroxy-cyclohexyl)-diphenyl-phosphin-oxid at the ambient temperature. This reaction will need reagent diphosphorus tetraiodide and solvent CS₂ with the reaction time of 24 hours. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(c1ccccc1)(c2ccccc2)C3CCCCC3
(2)InChI: InChI=1/C18H21OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2
(3)InChIKey: ICVUZKQDJNUMKC-UHFFFAOYSA-N