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CAS No.: | 78812-64-3 |
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Name: | 2-HYDROXY-1-(4-IODOPHENYL)ETHANONE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H7IO2 |
Molecular Weight: | 262.047 |
Synonyms: | Acetophenone,a-hydroxy-p-iodo- (4CI); |
Density: | 1.864 g/cm3 |
Boiling Point: | 339.5 °C at 760 mmHg |
Flash Point: | 159.1 °C |
PSA: | 37.30000 |
LogP: | 1.46620 |
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The Ethanone,2-hydroxy-1-(4-iodophenyl)- is an organic compound with the formula C8H7IO2. With the CAS registry number 78812-64-3, the IUPAC name of this chemical is 2-hydroxy-1-(4-iodophenyl)ethanone.
Physical properties about Ethanone,2-hydroxy-1-(4-iodophenyl)- are: (1)ACD/LogP: 1.64; (2)ACD/LogD (pH 5.5): 1.64; (3)ACD/LogD (pH 7.4): 1.64; (4)ACD/BCF (pH 5.5): 10.36; (5)ACD/BCF (pH 7.4): 10.36; (6)ACD/KOC (pH 5.5): 185.55; (7)ACD/KOC (pH 7.4): 185.55; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 37.3 Å2; (12)Index of Refraction: 1.641; (13)Molar Refractivity: 50.72 cm3; (14)Molar Volume: 140.5 cm3; (15)Polarizability: 20.1×10-24cm3; (16)Surface Tension: 56.1 dyne/cm; (17)Density: 1.864 g/cm3; (18)Flash Point: 159.1 °C; (19)Enthalpy of Vaporization: 61.53 kJ/mol; (20)Boiling Point: 339.5 °C at 760 mmHg; (21)Vapour Pressure: 3.54E-05 mmHg at 25°C
Preparation: this chemical can be prepared by 1-(4-iodo-phenyl)-ethanone. This reaction will need reagent iodosobenzene, NaOH and solvent methanol. The reaction temperature is 10 °C. The yield is about 71%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CO)c1ccc(I)cc1
(2)InChI: InChI=1/C8H7IO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,10H,5H2
(3)InChIKey: LRMMTBOVAYKZAH-UHFFFAOYAK