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151417-38-8

151417-38-8 Structure

151417-38-8 Structure
IdentificationBack Directory
[Name]

1 3 5-TRIS(4-IODOPHENYL)BENZENE) 90
[CAS]

151417-38-8
[Synonyms]

1,3,5-Tris(4-iodophenyl)benzene 97%
1 3 5-TRIS(4-IODOPHENYL)BENZENE) 90
tert-butyl 3-iodoindazole-1-carboxylate
4,4''-Diiodo-5'-(4-iodophenyl)-1,1':3',1''-terphenyl
1,1':3',1''-Terphenyl, 4,4''-diiodo-5'-(4-iodophenyl)-
1 3 5-TRIS(4-IODOPHENYL)BENZENE) 90 ISO 9001:2015 REACH
[EINECS(EC#)]

625-108-0
[Molecular Formula]

C24H15I3
[MDL Number]

MFCD07369795
[MOL File]

151417-38-8.mol
[Molecular Weight]

684.08
Chemical PropertiesBack Directory
[Melting point ]

254-260 °C(lit.)
[Boiling point ]

600.3±55.0 °C(Predicted)
[density ]

1.946±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

powder to crystal
[color ]

White to Light yellow
[InChI]

InChI=1S/C24H15I3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15H
[InChIKey]

KGLWDSJGGFTHHD-UHFFFAOYSA-N
[SMILES]

C1(C2=CC(C3=CC=C(I)C=C3)=CC(C3=CC=C(I)C=C3)=C2)=CC=C(I)C=C1
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

41
[Safety Statements ]

26-39
[WGK Germany ]

3
[HS Code ]

29039990
Hazard InformationBack Directory
[Uses]

Building block in a synthesis of C3-symmetric nano-sized polyaromatics and molecular propellers.
[Synthesis]

1,3,5-Triphenylbenzene

612-71-5

Periodic acid

10450-60-9

1,3,5-Tris(4-iodophenyl)benzene

151417-38-8

Example 1 (Preparation of 1,3,5-tris(4-iodophenyl)benzene): 116 g of 1,3,5-triphenylbenzene, 19 mL of concentrated sulfuric acid (as a catalyst), and 1520 mL of 80% acetic acid (as a reaction solvent) were sequentially added to a 2L three-necked flask. The reaction mixture was heated to 70 °C under stirring conditions. Subsequently, 143 g of iodine and 69.3 g of periodate were added in batches over a period of about 2.5 hours (Note: in the original text, "n-stereo acid" should be "periodate"). After the addition, the reaction was continued with stirring for 6 hours, during which a white precipitate was generated. At the end of the reaction, toluene was added to the reaction mixture to dissolve the precipitate and separate the toluene layer from the water layer. The toluene layer was washed with aqueous sodium bicarbonate and aqueous sodium thiosulfate in turn. The washed organic layer was concentrated and purified by silica gel column chromatography, and finally recrystallized with ethanol/toluene mixed solvent to obtain 34.6 g of the target product 1,3,5-tris(4-iodophenyl)benzene as white needle-like crystals in 13.3% yield.

[References]

[1] Patent: EP1826837, 2007, A1
Spectrum DetailBack Directory
[Spectrum Detail]

1,3,5-Tris(4-iodophenyl)benzene(151417-38-8)1HNMR
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