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Bis(4-methyl-3-nitrophenyl)diazene 1-oxide, also known as 2,2''-Dinitro-4,4''-azoxytoluene, is a chemical compound that serves as a metabolite of 2,4-dinitrotoluene. It is formed by the metabolic activity of Salmonella typhimurium strains, which are a type of bacteria commonly used in research for their ability to metabolize various substances.

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  • 5679-89-0 Structure
  • Basic information

    1. Product Name: Bis(4-methyl-3-nitrophenyl)diazene 1-oxide
    2. Synonyms: Bis(4-methyl-3-nitrophenyl)diazene 1-oxide;44DIMETHYL33DINITROAZOXYBENZENE
    3. CAS NO:5679-89-0
    4. Molecular Formula: C14H12N4O5
    5. Molecular Weight: 316.30
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 5679-89-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 500.6°C at 760 mmHg
    3. Flash Point: 256.5°C
    4. Appearance: /
    5. Density: 1.41g/cm3
    6. Vapor Pressure: 1.16E-09mmHg at 25°C
    7. Refractive Index: 1.645
    8. Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
    9. Solubility: DMSO
    10. CAS DataBase Reference: Bis(4-methyl-3-nitrophenyl)diazene 1-oxide(CAS DataBase Reference)
    11. NIST Chemistry Reference: Bis(4-methyl-3-nitrophenyl)diazene 1-oxide(5679-89-0)
    12. EPA Substance Registry System: Bis(4-methyl-3-nitrophenyl)diazene 1-oxide(5679-89-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 5679-89-0(Hazardous Substances Data)

5679-89-0 Usage

Uses

Used in Metabolic Research:
Bis(4-methyl-3-nitrophenyl)diazene 1-oxide is used as a research compound in metabolic studies, specifically for understanding the metabolic pathways and enzymes involved in the breakdown of 2,4-dinitrotoluene. This knowledge can be valuable for developing methods to detoxify or mitigate the harmful effects of this chemical in various environments and organisms.
Used in Environmental Toxicology:
In the field of environmental toxicology, Bis(4-methyl-3-nitrophenyl)diazene 1-oxide can be used as a reference compound to study the effects of 2,4-dinitrotoluene exposure on living organisms. This can help in assessing the risks associated with the presence of 2,4-dinitrotoluene in the environment and in developing strategies for its safe disposal or containment.
Used in Pharmaceutical Development:
Although not explicitly mentioned in the provided materials, Bis(4-methyl-3-nitrophenyl)diazene 1-oxide could potentially be used in the development of pharmaceuticals targeting the detoxification or treatment of conditions related to 2,4-dinitrotoluene exposure. Further research would be required to explore this application.

Check Digit Verification of cas no

The CAS Registry Mumber 5679-89-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,6,7 and 9 respectively; the second part has 2 digits, 8 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 5679-89:
(6*5)+(5*6)+(4*7)+(3*9)+(2*8)+(1*9)=140
140 % 10 = 0
So 5679-89-0 is a valid CAS Registry Number.
InChI:InChI=1/C14H12N4O5/c1-9-3-5-11(7-13(9)17(20)21)15-16(19)12-6-4-10(2)14(8-12)18(22)23/h3-8H,1-2H3/b16-15-

5679-89-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name (4-methyl-3-nitrophenyl)-(4-methyl-3-nitrophenyl)imino-oxidoazanium

1.2 Other means of identification

Product number -
Other names 4,4'-Dimethyl-3,3'-dinitroazoxybenzene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5679-89-0 SDS

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