ChemicalBook--->CAS DataBase List--->2197167-50-1

2197167-50-1

2197167-50-1 Structure

2197167-50-1 Structure
IdentificationBack Directory
[Name]

IC-2CN-2Cl
[CAS]

2197167-50-1
[Synonyms]

IC245
IC2Cl
IC2CI
EA096
2ClIC
IC-2CN-2Cl
2-(5,6-dichloro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile
2-(5,6-Dichloro-2,3-dihydro-3-oxo-1H-inden-1-ylidene)propanedinitrile
Propanedinitrile,2-(5,6-dichloro-2,3-dihydro-3-oxo-1H-inden-1-ylidene)
OC1183, Propanedinitrile,2-(5,6-dichloro-2,3-dihydro-3-oxo-1H-inden-1-ylidene)
[Molecular Formula]

C12H4Cl2N2O
[MDL Number]

MFCD32853816
[MOL File]

2197167-50-1.mol
[Molecular Weight]

263.08
Chemical PropertiesBack Directory
[Boiling point ]

481.7±45.0 °C(Predicted)
[density ]

1.569±0.06 g/cm3(Predicted)
[form ]

solid
[color ]

Pale yellow
[InChI]

InChI=1S/C12H4Cl2N2O/c13-10-1-8-7(6(4-15)5-16)3-12(17)9(8)2-11(10)14/h1-2H,3H2
[InChIKey]

GSESGZDMIABVRC-UHFFFAOYSA-N
[SMILES]

C(#N)/C(=C1/C2=C(C=C(Cl)C(Cl)=C2)C(=O)C/1)/C#N
[Description]

2ClIC, namely 2-(5,6-dichloro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile, is used as a building block to prepare non-fullerene acceptors (NFAs)?such as ITIC-DCl, IEICO-4Cl, IXIC-4Cl and BTP-4Cl for highly efficient non-fullerene organic solar cells (NFOSCs).
[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-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313
Hazard InformationBack Directory
[Uses]

2-(5,6-Dichloro-2,3-dihydro-3-oxo-1H-inden-1-ylidene)propanedinitrile is a chlorinated fused nonacyclic non-fullerene acceptor enables efficient large-area polymer solar cells with high scalability.
[References]

[1] Ladder-Type Fused Benzodithiophene Extended along the Short-Axis Direction as a New Donor Building Block for Efficient Organic Solar Cells. DOI: 10.1021/acsami.1c16401.
[2] Achieving over 16% efficiency for single-junction organic solar cells. DOI: 10.1007/s11426-019-9457-5
Spectrum DetailBack Directory
[Spectrum Detail]

IC-2CN-2Cl(2197167-50-1)1HNMR
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