80935-59-7

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80935-59-7 Structure

Identification	Back 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 Properties	Back Directory
[Melting point ] 123-125 °C
[Boiling point ] 429.0±40.0 °C(Predicted)
[density ] 1.161±0.06 g/cm3(Predicted)
[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 Data	Back Directory
[Symbol(GHS) ] 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

Spectrum Detail	Back Directory
[Spectrum Detail] 2,2',2''-(benzene-1,3,5-triyl)triacetonitrile(80935-59-7)¹HNMR

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