ChemicalBook--->CAS DataBase List--->80935-59-7

80935-59-7

80935-59-7 Structure

80935-59-7 Structure
IdentificationBack Directory
[Name]

2,2',2''-(benzene-1,3,5-triyl)triacetonitrile
[CAS]

80935-59-7
[Synonyms]

BZ095
1,3,5-Benzenetriacetonitrile
(benzene-1,3,5-triyl)triacetonitrile
2,2',2''-(benzene-1,3,5-triyl)triacetonitrile
[Molecular Formula]

C12H9N3
[MDL Number]

MFCD30491308
[MOL File]

80935-59-7.mol
[Molecular Weight]

195.22
Chemical PropertiesBack Directory
[Melting point ]

123-125 °C
[Boiling point ]

429.0±40.0 °C(Predicted)
[density ]

1.161±0.06 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[Appearance]

Off-white to light yellow Solid
[InChI]

InChI=1S/C12H9N3/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h7-9H,1-3H2
[InChIKey]

QEIMSNKURDQYSE-UHFFFAOYSA-N
[SMILES]

C1(CC#N)=CC(CC#N)=CC(CC#N)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301+H311+H331-H315-H319
[Precautionary statements ]

P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Hazard InformationBack Directory
[Uses]

2,2',2''-(Benzene-1,3,5-triyl)triacetonitrile is used as a monomer for the synthesis of COF materials: GS-COF-1; supramolecular organic framework (SOF).
Spectrum DetailBack Directory
[Spectrum Detail]

2,2',2''-(benzene-1,3,5-triyl)triacetonitrile(80935-59-7)1HNMR
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