CAS No.25913-05-7,4-Fluoro-4'-hydroxybenzophenone Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	25913-05-7
Name:	4-Fluoro-4'-hydroxybenzophenone
Article Data:	13

Formula:	C₁₃H₉FO₂
Molecular Weight:	216.212
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;
EINECS:	247-340-8
Density:	1.27 g/cm³
Melting Point:	164-167 °C
Boiling Point:	374.3 °C at 760 mmHg
Flash Point:	180.2 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	37.30000
LogP:	2.76230

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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