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9H-Fluoren-9-one,1-hydroxy-

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Name

9H-Fluoren-9-one,1-hydroxy-

EINECS 228-746-4
CAS No. 6344-60-1 Density 1.369 g/cm3
Solubility Melting Point 116-119 °C
Formula C13H8O2 Boiling Point 383.4 °C at 760 mmHg
Molecular Weight 196.2 Flash Point 163.7 °C
Transport Information Appearance yellow to orange crystalline solid
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 6344-60-1 (9H-Fluoren-9-one,1-hydroxy-) Hazard Symbols IrritantXi
Synonyms

Fluoren-9-one,1-hydroxy- (6CI,8CI);1-Hydroxyfluoren-9-one;1-Hydroxyfluorenone;NSC 51309;

 

9H-Fluoren-9-one,1-hydroxy- Specification

This chemical is called 9H-Fluoren-9-one,1-hydroxy-, and its systematic name is 1-hydroxy-9H-fluoren-9-one. With the molecular formula of C13H8O2, its molecular weight is 196.2. The CAS registry number of this chemical is 6344-60-1. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the 3H-Fluoren-9-one,1-hydroxy- can be summarised as followings: (1)LogP: 3.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.87; (4)ACD/LogD (pH 7.4): 3.7; (5)ACD/BCF (pH 5.5): 511.88; (6)ACD/BCF (pH 7.4): 346.7; (7)ACD/KOC (pH 5.5): 3020.46; (8)ACD/KOC (pH 7.4): 2045.78; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.707; (14)Molar Refractivity: 55.8 cm3; (15)Molar Volume: 143.2 cm3; (16)Polarizability: 22.12× 10-24 cm3; (17)Surface Tension: 63.7 dyne/cm; (18)Density: 1.369 g/cm3; (19)Flash Point: 163.7 °C; (20)Enthalpy of Vaporization: 65.67 kJ/mol; (21)Boiling Point: 383.4 °C at 760 mmHg; (22)Vapour Pressure: 2E-06 mmHg at 25°C.

Production method of this chemical: The 9H-Fluoren-9-one,1-hydroxy- could be obtained by the reactant of 1-methoxy-fluoren-9-one. This reaction needs the reagent of BBr3, and the solvent of CH2Cl2. The yield is 95 %. In addition, this reaction should be taken for 12 hours at the temperature of -78-20 °C.

The <sup>9</sup>H-Fluoren-9-one,1-hydroxy- could be obtained by the reactant of 1-methoxy-fluoren-9-one.

Uses of this chemical: The 9H-Fluoren-9-one,1-hydroxy- could react with phenol, and obtain the 9,9-bis-(4-hydroxy-phenyl)-9H-fluoren-3-ol. This reaction needs the reagent of AlCl3. The yield is 35 %. In addition, this reaction should be taken for 4 hours at the temperature of 160 °C.

The <sup>9</sup>H-Fluoren-9-one,1-hydroxy- could react with phenol, and obtain the 9,9-bis-(4-hydroxy-phenyl)-9H-fluoren-3-ol.

When you are using this chemical, please be cautious about it as the following:This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection if you use it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C2c3c(c1cccc(O)c12)cccc3
2.InChI: InChI=1/C13H8O2/c14-11-7-3-6-9-8-4-1-2-5-10(8)13(15)12(9)11/h1-7,14H
3.InChIKey: QUUNMPSDKIURJD-UHFFFAOYAF
4.Std. InChI: InChI=1S/C13H8O2/c14-11-7-3-6-9-8-4-1-2-5-10(8)13(15)12(9)11/h1-7,14H
5.Std. InChIKey: QUUNMPSDKIURJD-UHFFFAOYSA-N

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