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25186-99-6

Basic Information
CAS No.: 25186-99-6
Name: 3,3'-Diiodobenzophenone
Article Data: 15
Molecular Structure:
Molecular Structure of 25186-99-6 (3,3'-Diiodobenzophenone)
Formula: C13H8I2O
Molecular Weight: 434.015
Synonyms: Benzophenone,3,3'-diiodo- (7CI,8CI);3,3'-Diiodobenzophenone;Bis(3-iodophenyl) ketone;
Density: 2.05 g/cm3
Melting Point: 147-149 °C
Boiling Point: 458.2 °C at 760 mmHg
Flash Point: 230.9 °C
PSA: 17.07000
LogP: 4.12680
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Specification

The systematic name of 3,3'-Diiodobenzophenone is Bis(3-iodophenyl)methanone. With the CAS registry number 25186-99-6, it is also named as Methanone,bis(3-iodophenyl)-. In addition, its molecular formula is C13H8I2O and molecular weight is 434.01.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.65; (2)# of Rule of 5 Violations: 1; (3)H bond acceptors: 1; (4)H bond donors: 0; (5)Freely Rotating Bonds: 2; (6)Polar Surface Area: 17.07 2; (7)Index of Refraction: 1.7; (8)Molar Refractivity: 81.85 cm3; (9)Molar Volume: 211.6 cm3; (10)Polarizability: 32.45×10-24cm3; (11)Surface Tension: 55.6 dyne/cm; (12)Density: 2.05 g/cm3; (13)Flash Point: 230.9 °C; (14)Melting point: 147-149 °C; (15)Enthalpy of Vaporization: 71.85 kJ/mol; (16)Boiling Point: 458.2 °C at 760 mmHg; (17)Vapour Pressure: 1.4E-08 mmHg at 25 °C.

Preparation of 3,3'-Diiodobenzophenone: this chemical can be prepared by Benzophenone.



This reaction needs I2, 2Na2CO3*3H2O2, H2SO4, Ac2O and AcOH at temperature of 35-40 °C. The reaction time is 2 hours. The yield is 51 %.

People can use the following data to convert to the molecule structure.
SMILES:O=C(c1cc(I)ccc1)c2cccc(I)c2
InChI:InChI=1/C13H8I2O/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H
InChIKey:NKUNBQOGOCFLNG-UHFFFAOYAT
Std. InChI:InChI=1S/C13H8I2O/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H
Std. InChIKey:NKUNBQOGOCFLNG-UHFFFAOYSA-N