23855-87-0

The 4-Phosphorinanone,1-phenyl- has CAS registry number 23855-87-0. This chemical's molecular formula is C₁₁H₁₃OP and molecular weight is 192.194081. What's more, its systematic name is 1-Phenylphosphinan-4-one.

Physical properties about the 4-Phosphorinanone,1-phenyl- are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 8.92; (6)ACD/BCF (pH 7.4): 8.92; (7)ACD/KOC (pH 5.5): 166.74; (8)ACD/KOC (pH 7.4): 166.74; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 30.66 Å²; (13)Flash Point: 151.6 °C; (14)Enthalpy of Vaporization: 56.93 kJ/mol; (15)Boiling Point: 327 °C at 760 mmHg; (16)Vapour Pressure: 0.000208 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 1-Oxo-1-phenyl-1λ⁵-phosphinan-4-one. This reaction needs reagent H₂O₂. Meanwhile, it needs solvent CHCl₃. The yield is about 92.5 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2CCP(c1ccccc1)CC2
(2) InChI: InChI=1/C11H13OP/c12-10-6-8-13(9-7-10)11-4-2-1-3-5-11/h1-5H,6-9H2
(3) InChIKey: BECOPHRLDVQPNZ-UHFFFAOYAN