507484-48-2

Basic information

• Product Name: 2-(6-chloro-2,3-Dihydro-3-oxo-1H-inden-ylidene)-propanedinitrile
• Synonyms: 2-(6-chloro-2,3-Dihydro-3-oxo-1H-inden-ylidene)-propanedinitrile;PM324;2-(6-Chloro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile;2-(6-Chloro-3-oxo-indan-1-ylidene)-malononitrile;ICCl
• CAS NO: 507484-48-2
• Molecular Formula: C12H5ClN2O
• Molecular Weight: 228.6339
• EINECS: 200-258-5
• Mol File: 507484-48-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 446.4±45.0 °C(Predicted)
• Appearance: /
• Density: 1.469±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 2-(6-chloro-2,3-Dihydro-3-oxo-1H-inden-ylidene)-propanedinitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(6-chloro-2,3-Dihydro-3-oxo-1H-inden-ylidene)-propanedinitrile(507484-48-2)
• EPA Substance Registry System: 2-(6-chloro-2,3-Dihydro-3-oxo-1H-inden-ylidene)-propanedinitrile(507484-48-2)

Safety Data

• Hazardous Substances Data: 507484-48-2(Hazardous Substances Data)

Usage

General Description

2-(6-chloro-2,3-Dihydro-3-oxo-1H-inden-ylidene)-propanedinitrile is a chemical compound with the molecular formula C13H8ClN3O. It is a yellow solid that is insoluble in water and has a melting point of 200-202°C. 2-(6-chloro-2,3-Dihydro-3-oxo-1H-inden-ylidene)-propanedinitrile is a derivative of indene, which is commonly used as a building block in the production of pharmaceuticals and agrochemicals. It is also used as a ligand in the synthesis of organometallic complexes. Additionally, it has potential applications in material science and organic synthesis due to its unique chemical properties. However, it is important to handle this compound with care as it is a nitrile and can be toxic if ingested or inhaled. Overall, 2-(6-chloro-2,3-Dihydro-3-oxo-1H-inden-ylidene)-propanedinitrile has diverse uses and should be handled with caution due to its toxic nature.

Upstream product

• 118-45-6 4-chlorophthalic anhydride 
• 22018-96-8 5-chloro-1H-indene-1,3(2H)-dione 
• 109-77-3 malononitrile 

Relevant articles and documents

Isomeric effects of chlorinated end groups on efficient solar conversion

Isomers with subtle differences in their molecular structure often exhibit different electronic/optoelectronic properties, charge-transport behaviors and photovoltaic performances. In this work, we describe BTIC-2Cl-γ, BTIC-2Cl-δ, and BTIC-2Cl-β, three isomers with acceptor-donor-acceptor-donor-acceptor (A-D-A-D-A) structures, in which a fused benzothiadiazole is the donor (D) unit and a single chlorine atom substituted at the δ, β or γ position of the benzene-fused end groups is the acceptor (A) unit. In general, changes in the position of the chlorine atom were found to lead to significantly different absorptions, energy levels, and photovoltaic performances. Compared to BTIC-2Cl-δ, the BTIC-2Cl-γ isomer shows similar UV/Vis absorption, energy levels, and molecular packing, but slightly better photovoltaic performance. A crystallographic analysis of BTIC-2Cl-δ indicates that the molecules easily form a three-dimensional (3D) network due to the noncovalent interactions of Cl?S, Cl?π and Cl?N. When blended with PBDB-TF as an electron-donor material, the devices based on BTIC-2Cl-γ exhibited higher power conversion efficiency (PCE) of up to 15.04% with an increased voltage (Voc) of 0.90 V, which was better than that of BTIC-2Cl-δ-based devices (14.13%) and much higher than that of BTIC-2Cl-β-based devices (7.39%). Our studies demonstrate that having the chlorine atom at the different positions of the end groups clearly affects the photovoltaic properties of the resulting acceptors.