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Bis(4-iodophenyl) ether

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Name

Bis(4-iodophenyl) ether

EINECS N/A
CAS No. 28896-49-3 Density 2.066 g/cm3
PSA 9.23000 LogP 4.68810
Solubility N/A Melting Point 43-45°C
Formula C12H8I2O Boiling Point 377.5 °C at 760 mmHg
Molecular Weight 422.004 Flash Point 182.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 28896-49-3 (4-IODOPHENYL ETHER) Hazard Symbols Xi
Synonyms

Ether,bis(p-iodophenyl) (6CI,7CI,8CI);4,4'-Diiododiphenyl ether;4,4'-Diiodophenylether;Bis(4-iodophenyl)ether;Bis(p-iodophenyl) ether;NSC 45097;p,p'-Iododiphenyl ether;

Article Data 29

Bis(4-iodophenyl) ether Specification

The Bis(4-iodophenyl) ether, with the CAS registry number of 28896-49-3, is also known as 1, 1'-Oxybis(4-iodobenzene). This chemical's molecular formula is C12H8I2O and molecular weight is 422.0003. What's more, its IUPAC name is 1-Iodo-4-(4-iodophenoxy)benzene. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.

Physical properties about Bis(4-iodophenyl) ether are: (1)ACD/LogP: 6.75; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.75; (4)ACD/LogD (pH 7.4): 6.75; (5)ACD/BCF (pH 5.5): 78799.85; (6)ACD/BCF (pH 7.4): 78799.85; (7)ACD/KOC (pH 5.5): 111304.59; (8)ACD/KOC (pH 7.4): 111304.59; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 78.5 cm3; (15)Molar Volume: 204.1 cm3; (16)Surface Tension: 52.5 dyne/cm; (17)Density: 2.066 g/cm3; (18)Flash Point: 182.1 °C; (19)Enthalpy of Vaporization: 60.08 kJ/mol; (20)Boiling Point: 377.5 °C at 760 mmHg; (21)Vapour Pressure: 1.46E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic2ccc(Oc1ccc(I)cc1)cc2
(2) InChI: InChI=1/C12H8I2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
(3) InChIKey: VHEGXFQQYZIMMF-UHFFFAOYAT

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01804

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