CAS No.28896-49-3,4-IODOPHENYL ETHER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	28896-49-3
Name:	4-IODOPHENYL ETHER
Article Data:	29

Formula:	C₁₂H₈I₂O
Molecular Weight:	422.004
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;
Density:	2.066 g/cm³
Melting Point:	43-45°C
Boiling Point:	377.5 °C at 760 mmHg
Flash Point:	182.1 °C
Hazard Symbols:	Xi
PSA:	9.23000
LogP:	4.68810

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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