4587-25-1

Basic information

• Product Name: 4,5-dibromo-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile
• Synonyms: 1,4-cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo-; 4,5-Dibromo-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile
• CAS NO: 4587-25-1
• Molecular Formula: C₈Br₂N₂O₂
• Molecular Weight: 315.9058
• Mol File: 4587-25-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 337°C at 760 mmHg
• Flash Point: 157.6°C
• Density: 2.3g/cm³
• Vapor Pressure: 0.000108mmHg at 25°C
• Refractive Index: 1.674
• CAS DataBase Reference: 4,5-dibromo-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4,5-dibromo-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile(4587-25-1)
• EPA Substance Registry System: 4,5-dibromo-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile(4587-25-1)

Safety Data

• Hazardous Substances Data: 4587-25-1(Hazardous Substances Data)

Usage

General Description

4,5-dibromo-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile is a chemical compound with the molecular formula C6HBr2N2O2. It is a yellow, crystalline powder that is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. 4,5-dibromo-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile is also known for its potential use as a flame retardant and as a precursor to functionalized polymers. Its chemical structure contains two bromine atoms, two nitrile groups, and two carbonyl groups, making it a versatile building block for various chemical reactions and applications in the research and industrial fields. Additionally, it is important to handle this compound with care as it may be harmful if swallowed, inhaled, or if it comes into contact with the skin.

Upstream product

• 35079-56-2 tetrathiafulvalenium radical cation 
• 50708-37-7 tetramethyltetrathiafulvalene radical cation 
• 695-99-8 2-Chloro-1,4-benzoquinone 
• 4733-50-0 2,3-dicyano-1,4-hydroquinone 
• 4593-01-5 4,5-dibromo-3,6-dihydroxy phthalonitrile 
• 7697-37-2 nitric acid 

Downstream Products

• 35079-56-2 tetrathiafulvalenium radical cation 
• 50708-37-7 tetramethyltetrathiafulvalene radical cation 
• 4593-01-5 4,5-dibromo-3,6-dihydroxy phthalonitrile 

Relevant articles and documents

Synthesis, electrochemical, and photophysical studies of hexadecachlorinatedphthalocyaninato zinc(II)

Synthesis of a new symmetrical 1,4,8,11,15,18,22,25-octahexyloxy-2,3,9,10, 16,17,23,24-octa-(3,5-dichlorophenyl)phthalocyaninato zinc(II), ZnPc, has been described and characterized by 1H NMR, 13C NMR, MS, UV-Vis, and IR spectrometry. The newly prepared ZnPc is soluble in organic solvents and is not aggregated in solution. The photophysical properties were studied by steady-state absorption and emission, cyclic voltammetry, and nanosecond transient absorption techniques. The prepared ZnPc absorbs and emits at longer wavelengths compared to that of reported phthalocyanine derivatives. The electron-donating properties of the ZnPc have been examined by mixing it with the electron-accepting dicyanoperylene-3,4,9,10-bis(dicarboximide), PDICN2. The recorded nanosecond transient spectra in the visible/near-IR region showed clearly the electron-transfer from the triplet-excited state of the ZnPc to PDICN2 with a rate of 3.40 × 108 M-1 s-1. Light absorption in a wide section of the solar spectrum, favorable redox properties, and the electron-transfer properties suggest usefulness of the ZnPc in light-energy harvesting and developing optoelectronic devices.