9-Fluorenone Oxime

The 9-Fluorenone Oxime, with CAS registry number 2157-52-0, belongs to the following product categories: (1)Fluorene Derivatives; (2)Blocks; (3)Building Blocks; (4)Fluorenes & Fluorenones; (5)Fluorenones; (6)Fused Ring Systems. It has the systematic name of N-hydroxy-9H-fluoren-9-imine. This chemical should  be kept cold. When use it, do not breathe dust and avoid contact with skin and eyes. What's more, its EINECS is 218-471-8.

Physical properties of 9-Fluorenone Oxime: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 222.87; (6)ACD/BCF (pH 7.4): 222.78; (7)ACD/KOC (pH 5.5): 1668.54; (8)ACD/KOC (pH 7.4): 1667.9; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 21.59 Å²; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 58.71 cm³; (15)Molar Volume: 158.2 cm³; (16)Polarizability: 23.27×10^-24cm³; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 252.2 °C; (20)Enthalpy of Vaporization: 67.92 kJ/mol; (21)Boiling Point: 394.1 °C at 760 mmHg; (22)Vapour Pressure: 6.45E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 4'-cyano-3'-phenyl-4'-t-butylfluorene-9-sπro-2'-oxazolidin-5'-one. This reaction will need reagent hydroxylamine and solvent methanol. The reaction time is 30 min. The yield is about 85%.

You can still convert the following datas into molecular structure:
(1)SMILES: O\N=C3/c1ccccc1c2c3cccc2
(2)InChI: InChI=1/C13H9NO/c15-14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,15H
(3)InChIKey: CRNNFEKVPRFZKJ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C13H9NO/c15-14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,15H
(5)Std. InChIKey: CRNNFEKVPRFZKJ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	unreported	560mg/kg (560mg/kg)		Pharmaceutical Chemistry Journal Vol. 12, Pg. 227, 1978.