20033-48-1

Basic information

• Product Name: 1,3-Benzenedicarbonitrile, 2-amino-5-nitro-
• CAS NO: 20033-48-1
• Molecular Formula: C8H4N4O2
• Molecular Weight: 188.145
• Mol File: 20033-48-1.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 1,3-Benzenedicarbonitrile, 2-amino-5-nitro-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Benzenedicarbonitrile, 2-amino-5-nitro-(20033-48-1)
• EPA Substance Registry System: 1,3-Benzenedicarbonitrile, 2-amino-5-nitro-(20033-48-1)

Safety Data

• Hazardous Substances Data: 20033-48-1(Hazardous Substances Data)

Usage

Explanation

The molecular formula represents the number of atoms of each element present in a molecule of the compound.

Explanation

Describes the physical appearance of the compound, which is yellow in color and has a crystalline structure.

Explanation

Indicates that the compound does not dissolve well in water, which is an important property for its handling and use.

Explanation

These are alternative names for the compound, which can be used interchangeably.

Explanation

The compound is used as a building block in the synthesis of various drugs and chemicals used in agriculture.

Explanation

The presence of these functional groups makes the compound a versatile building block for the synthesis of biologically active molecules.

Explanation

The compound has the ability to cause mutations, which makes it a subject of interest in studies of DNA damage and repair.

Explanation

Due to its mutagenic potential, the compound is used in research to understand the mechanisms of DNA damage and the processes involved in its repair.

Appearance

Yellow crystalline solid

Solubility

Insoluble in water

Synonyms

2-amino-5-nitrobenzonitrile, 2-amino-5-nitropyridine

Applications

Production of pharmaceuticals and agrochemicals

Functional groups

Nitro and amino groups

Mutagenic potential

Potential mutagen

Research significance

Studies of DNA damage and repair

Upstream product

• 99-30-9 4-nitro-2,6-dichloroaniline 
• 544-92-3 copper(I) cyanide 
• 618-88-2 5-nitrobenzene-1,3-dicarboxylic acid 
• 38177-07-0 5-nitro-1,3-benzenedicarboxamide 
• 13438-30-7 5-nitro-1,3-benzenedicarbonylchloride 
• 33224-18-9 5-nitrobenzene-1,3-dicarbonitrile 

Downstream Products

• 108761-80-4 2,6-dicyano-p-phenylenediamine 
• 26309-21-7 2',6'-dicyano-4'-nitro-4-(N-β-cyanoethyl-N-ethyl)amino-1,1'-azobenzene 
• 41642-51-7 D₇ 

Relevant articles and documents

Synthesis and photophysical properties of 2,6-dicyano-p-phenylenediamine

The photophysical and electrochemical properties of p-phenylenediamine (PPD) are strongly affected by the addition of cyano groups to the aromatic ring. In 2,3,5,6-tetracyano-p-phenylenediamine (TCPPD) the photophysics is governed mostly by the solvent basicity (β) whereas in 2,6-dicyano-N,N, N′,N′-tetramethyl-p-phenylenediamine (DCTMPPD) by the solvent polarity/polarizability (π*). In order to study the interactions of cyano-substituted PPDs with the solvent molecules in more detail as well as to clarify the role and origin of hydrogen bonding differences for TCPPD and DCTMPPD, another cyano substituted PPD, 2,6-dicyano-p-phenylenediamine (DCPPD) has been synthesized. The photophysical properties have been measured in a wide range of solvents. The fluorescence lifetimes (from 14 ns to 20 ns) and quantum yields (from 0.7 to 0.85) are not very sensitive to the environment. The solvatochromism is analyzed by a linear solvation energy relationship (LSER) using parameters developed by Kamlet, Taft and co-workers. It has been found that both absorption and emission of DCPPD depend on specific as well as non-specific interactions of the solute with the solvent molecules. The ground and excited state pKa values for DCPPD have also been determined.

Synthesis and Spectral Characterization of Blue Dyes of the Benzene Series

53 Donor-acceptor substituted azo dyes of the benzene series were prepared by diazonium-coupling reactions (1a-s) or halogen-cyanide exchange (->2a-x, 3a-j).Described are the preparation of the amines 4a-m and the coupling compounds 5a-t and the procedure of diazotizing and coupling.The colouristic and spectroscopic data show that compounds of the general formula 1 are excellent brilliant blue azo dyes usefull for dyeing polyester material.