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121706-21-6

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121706-21-6 Structure

121706-21-6 Structure
IdentificationBack Directory
[Name]

4,4',4'',4'''-methanetetrayltetrabenzonitrile
[CAS]

121706-21-6
[Synonyms]

Tetrakis(4-cyanophenyl)methane
4-[tris(4-cyanophenyl)methyl]benzonitrile
4,4',4'',4'''-methanetetrayltetrabenzonitrile
4,4',4'',4'''-methanetetrayltetrakis-Benzonitrile
Benzonitrile, 4,4',4'',4'''-methanetetrayltetrakis-
[Molecular Formula]

C29H16N4
[MDL Number]

MFCD29049230
[MOL File]

121706-21-6.mol
[Molecular Weight]

420.46
Chemical PropertiesBack Directory
[Melting point ]

312 °C(Solv: acetonitrile (75-05-8))
[Boiling point ]

650.6±55.0 °C(Predicted)
[density ]

1.30±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[InChI]

InChI=1S/C29H16N4/c30-17-21-1-9-25(10-2-21)29(26-11-3-22(18-31)4-12-26,27-13-5-23(19-32)6-14-27)28-15-7-24(20-33)8-16-28/h1-16H
[InChIKey]

HXZGMLINTVQVPX-UHFFFAOYSA-N
[SMILES]

C(C1=CC=C(C=C1)C#N)(C1=CC=C(C=C1)C#N)(C1=CC=C(C=C1)C#N)C1=CC=C(C=C1)C#N
Safety DataBack Directory
[HS Code ]

2926907090
Hazard InformationBack Directory
[Uses]

Tetrakis(4-cyanophenyl)methane is used as a reactant in the synthesis of hydrogen-bonded organic frameworks.
Spectrum DetailBack Directory
[Spectrum Detail]

4,4',4'',4'''-methanetetrayltetrabenzonitrile(121706-21-6)1HNMR
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