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2083617-82-5

2083617-82-5 Structure

2083617-82-5 Structure
IdentificationBack Directory
[Name]

2-(5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile
[CAS]

2083617-82-5
[Synonyms]

IC2F
2FIC
EA120
PM201
IC225
6-difluoro-3-oxo-2
3-dihydro-1H-inden-1-ylidene)malononitrile
2-(5,6-Difluoro-3-oxo-indan-1-ylidene)-malononitrile
2-(5,6-Difluoro-3-oxoinden-1-ylidene)propanedinitrile
2-(5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile
(5,6-Difluoro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile?
2-(5,6-Difluoro-2,3-dihydro-3-oxo-1H-inden-1-ylidene)propanedinitrile
Propanedinitrile, 2-(5,6-difluoro-2,3-dihydro-3-oxo-1H-inden-1-ylidene)-
2-(5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile(WX142525)
[EINECS(EC#)]

200-258-5
[Molecular Formula]

C12H4F2N2O
[MDL Number]

MFCD31631729
[MOL File]

2083617-82-5.mol
[Molecular Weight]

230.17
Chemical PropertiesBack Directory
[Boiling point ]

415.1±45.0 °C(Predicted)
[density ]

1.513±0.06 g/cm3(Predicted)
[form ]

solid
[color ]

Pale yellow
[InChI]

InChI=1S/C12H4F2N2O/c13-10-1-8-7(6(4-15)5-16)3-12(17)9(8)2-11(10)14/h1-2H,3H2
[InChIKey]

FKMLTPDJPCYVHT-UHFFFAOYSA-N
[SMILES]

C(#N)/C(=C1/C2=C(C=C(F)C(F)=C2)C(=O)C/1)/C#N
[CAS DataBase Reference]

2083617-82-5
[Description]

2FIC, namely 2-(5,6-Difluoro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile, is electron deficient. It is used as a building block to prepare non-fullerene acceptors (NFAs) such as ITIC-2F, IHIC-2F, IEIC-2F, IXIC-2F for highly efficient organic photovoltaic devices.
[Odor]

Pale yellow solid
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

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

P261-P264-P280-P301+P310+P330-P302+P352+P312-P403+P233
Hazard InformationBack Directory
[Uses]

2-(5,6-Difluoro-2,3-dihydro-3-oxo-1H-inden-1-ylidene)propanedinitrile is incorporated into the core of photovoltaic devices to achieve higher current and reduced energy loss for nonfullerene solar cells.
[References]

[1] Design, Synthesis, and Photovoltaic Characterization of a Small Molecular Acceptor with an Ultra‐Narrow Band Gap. DOI: 10.1002/anie.201610944.
[2] Facile synthesis of high-performance nonfullerene acceptor isomers via a one stone two birds strategy. DOI: 10.1039/c9ta07917c.
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