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2069-48-9

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Basic Information
CAS No.: 2069-48-9
Name: 4-chloro-4'-fluorobenzophenone
Article Data: 27
Molecular Structure:
Molecular Structure of 2069-48-9 (4-chloro-4'-fluorobenzophenone)
Formula: C13H8ClFO
Molecular Weight: 234.657
Synonyms: Benzophenone,4-chloro-4'-fluoro- (6CI,8CI);4-Chloro-4'-fluorobenzophenone;4-Fluoro-4'-chlorobenzophenone;(4-Chlorophenyl)(4-fluorophenyl)methanone;
Density: 1.277 g/cm3
Melting Point: 114-115 °C
Boiling Point: 339.8 °C at 760 mmHg
Flash Point: 159.3 °C
PSA: 17.07000
LogP: 3.71010
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Specification

The CAS registry number of Methanone,(4-chlorophenyl)(4-fluorophenyl)- is 2069-48-9. The IUPAC name is (4-chlorophenyl)(4-fluorophenyl)methanone. In addition, the molecular formula is C13H8ClFO and the molecular weight is 234.65. It is a kind of white crystal powder and should be stored in a cool and dry place.

Physical properties about Methanone,(4-chlorophenyl)(4-fluorophenyl)- are: (1)ACD/LogP: 4.58; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 800; (5)ACD/BCF (pH 7.4): 800; (6)ACD/KOC (pH 5.5): 4165; (7)ACD/KOC (pH 7.4): 4165; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.578; (12)Molar Refractivity: 60.935 cm3; (13)Molar Volume: 183.709 cm3; (14)Polarizability: 24.156 ×10-24cm3; (15)Surface Tension: 42.807 dyne/cm; (16)Density: 1.277 g/cm3; (17)Flash Point: 159.29 °C; (18)Enthalpy of Vaporization: 58.326 kJ/mol; (19)Boiling Point: 339.775 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1)c2ccc(F)cc2
(2)InChI: InChI=1/C13H8ClFO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
(3)InChIKey: YGROSAOZMCLHSW-UHFFFAOYAZ