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| CAS No.: | 6136-66-9 |
|---|---|
| Name: | 4-IODOBENZOPHENONE |
| Molecular Structure: | |
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| Formula: | C13H9IO |
| Molecular Weight: | 308.118 |
| Synonyms: | Benzophenone,4-iodo- (6CI,7CI,8CI);(4-Iodophenyl)phenylmethanone;4-Iodobenzophenone;p-Iodobenzophenone;(4-Iodophenyl)(phenyl)methanone; |
| Density: | 1.624 g/cm3 |
| Melting Point: | 97-99 °C |
| Boiling Point: | 366.6 °C at 760 mmHg |
| Flash Point: | 175.5 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 17.07000 |
| LogP: | 3.52220 |
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Specification
The CAS registry number of Methanone,(4-iodophenyl)phenyl- is 6136-66-9. The systematic name is (4-iodophenyl)(phenyl)methanone. In addition, the molecular formula is C13H9IO and the molecular weight is 308.11. It should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 4.38; (2)ACD/LogD (pH 5.5): 4.38; (3)ACD/LogD (pH 7.4): 4.38; (4)ACD/BCF (pH 5.5): 1257.02; (5)ACD/BCF (pH 7.4): 1257.02; (6)ACD/KOC (pH 5.5): 5755.83; (7)ACD/KOC (pH 7.4): 5755.83; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.647; (12)Molar Refractivity: 68.95 cm3; (13)Molar Volume: 189.6 cm3; (14)Polarizability: 27.33 ×10-24cm3; (15)Surface Tension: 49.3 dyne/cm; (16)Density: 1.624 g/cm3; (17)Flash Point: 175.5 °C; (18)Enthalpy of Vaporization: 61.3 kJ/mol; (19)Boiling Point: 366.6 °C at 760 mmHg; (20)Vapour Pressure: 1.45E-05 mmHg at 25°C.
Preparation of Methanone,(4-iodophenyl)phenyl-: it can be prepared by 4-amino-benzophenone. This reaction will need reagents NaNO2, 2M H2SO4 and KI, and solvent H2O. The reaction should react at reaction temperature of 5 °C for 1 hour. Then it should react at room temperature for 1.5 hours. The yield is about 64%.
phenyl-.jpg)
Uses of Methanone,(4-iodophenyl)phenyl-: it can be used to get benzophenone. This reaction will need reagents H2 and Et3N, catalyst 10 percent Pd/C and solvent methanol. The reaction time is 2 hours at reaction temperature of 20 °C and at reaction pressure of 760 Pa. The yield is about 99%.
phenyl-.jpg)
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(I)cc1)c2ccccc2
(2)InChI: InChI=1/C13H9IO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
(3)InChIKey: OCAJMURFVZWFPX-UHFFFAOYAN