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CAS No.: | 25186-99-6 |
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Name: | 3,3'-Diiodobenzophenone |
Article Data: | 15 |
Molecular Structure: | |
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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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