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4-Fluoro-4'-hydroxybenzophenone

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Name

4-Fluoro-4'-hydroxybenzophenone

EINECS 247-340-8
CAS No. 25913-05-7 Density 1.27 g/cm3
PSA 37.30000 LogP 2.76230
Solubility N/A Melting Point 164-167 °C
Formula C13H9FO2 Boiling Point 374.3 °C at 760 mmHg
Molecular Weight 216.212 Flash Point 180.2 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 25913-05-7 (4-Fluoro-4'-hydroxybenzophenone) Hazard Symbols IrritantXi
Synonyms

(4-Fluorophenyl)(4-hydroxyphenyl)methanone;1-(4-Fluorophenyl)-1-(4-hydroxyphenyl)methanone;4-(p-Fluorobenzoyl)phenol;4-Fluoro-4'-hydroxybenzophenone;p-(4-Fluorobenzoyl)phenol;

Article Data 13

4-Fluoro-4'-hydroxybenzophenone Specification

The 4-Fluoro-4'-hydroxybenzophenone, with the CAS registry number 25913-05-7 and EINECS registry number 247-340-8, has the systematic name of (4-fluorophenyl)(4-hydroxyphenyl)methanone. It belongs to the following product categories: Aromatic Benzophenones & Derivatives (substituted); C13 to C14; Carbonyl Compounds; Ketones. And the molecular formula of the chemical is C13H9FO2.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 129.86; (6)ACD/BCF (pH 7.4): 91.57; (7)ACD/KOC (pH 5.5): 1131.79; (8)ACD/KOC (pH 7.4): 798.14; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 57.92 cm3; (15)Molar Volume: 170.1 cm3; (16)Polarizability: 22.96×10-24cm3; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 180.2 °C; (20)Enthalpy of Vaporization: 64.6 kJ/mol; (21)Boiling Point: 374.3 °C at 760 mmHg; (22)Vapour Pressure: 3.92E-06 mmHg at 25°C. 

Preparation of 4-Fluoro-4'-hydroxybenzophenone: This chemical can be prepared by 4,4'-difluoro-benzophenone. The reaction will need reagent KOH, and the menstruum H2O and dimethylsulfoxide. The reaction time is 18 hours with temperature 60°C, and the yield is about 81%. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc(O)cc1)c2ccc(F)cc2
(2)InChI: InChI=1/C13H9FO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H
(3)InChIKey: HLRVUOFDBXRZBI-UHFFFAOYAC

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