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| CAS No.: | 2974-94-9 |
|---|---|
| Name: | 4-IODODIPHENYL ETHER |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C12H9IO |
| Molecular Weight: | 296.107 |
| Synonyms: | Ether,p-iodophenyl phenyl (6CI,7CI,8CI);1-Iodo-4-phenoxybenzene;4-Iododiphenylether;4-Iodophenyl phenyl ether;4-Phenoxyiodobenzene;Phenyl iodophenylether;p-Phenoxyiodobenzene; |
| Density: | 1.626 g/cm3 |
| Melting Point: | 43～45℃ |
| Boiling Point: | 317.6 °C at 760 mmHg |
| Flash Point: | 145.9 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 43 |
| Safety: | 36/37 |
| PSA: | 9.23000 |
| LogP: | 4.08350 |
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- Total:38 Page 1 of 1 1
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Specification
The Benzene,1-iodo-4-phenoxy- is an organic compound with the formula C12H9IO. The IUPAC name of this chemical is 1-iodo-4-phenoxybenzene. With the CAS registry number 2974-94-9, it is also named as 4-Iodophenyl phenyl ether. The product's category is API Intermediates.
Physical properties about Benzene,1-iodo-4-phenoxy- are: (1)ACD/LogP: 5.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.48; (4)ACD/LogD (pH 7.4): 5.48; (5)ACD/BCF (pH 5.5): 8571.6; (6)ACD/BCF (pH 7.4): 8571.6; (7)ACD/KOC (pH 5.5): 22744.47; (8)ACD/KOC (pH 7.4): 22744.47; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.639; (13)Molar Refractivity: 65.6 cm3; (14)Molar Volume: 182 cm3; (15)Polarizability: 26×10-24cm3; (16)Surface Tension: 45.9 dyne/cm; (17)Density: 1.626 g/cm3; (18)Flash Point: 145.9 °C; (19)Enthalpy of Vaporization: 53.67 kJ/mol; (20)Boiling Point: 317.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00071 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic2ccc(Oc1ccccc1)cc2
(2)InChI: InChI=1/C12H9IO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
(3)InChIKey: BDKOUDYNKRCDEC-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C12H9IO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
(5)Std. InChIKey: BDKOUDYNKRCDEC-UHFFFAOYSA-N