2,6-Diamino-4-nitrotoluene

Base Information

• Chemical Name: 2,6-Diamino-4-nitrotoluene
• CAS No.: 59229-75-3
• Molecular Formula: C7H9 N3 O2
• Molecular Weight: 167.167
• Hs Code.: 2921519090
• European Community (EC) Number: 261-669-4
• UNII: CK8UX2A3X7
• DSSTox Substance ID: DTXSID20207973
• Nikkaji Number: J90.032J
• Wikidata: Q27109178
• Mol file: 59229-75-3.mol

Synonyms:2,6-diamino-4-nitrotoluene

Chemical Property of 2,6-Diamino-4-nitrotoluene

Chemical Property:

• Vapor Pressure: 1.1E-07mmHg at 25°C
• Boiling Point: 432.5°C at 760 mmHg
• Flash Point: 215.4°C
• PSA: 97.86000
• Density: 1.369g/cm³
• LogP: 2.75320
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 167.069476538
• Heavy Atom Count: 12
• Complexity: 168

Purity/Quality:

98%Min ^*data from raw suppliers

2,6-Diamino-4-nitrotoluene 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1N)[N+](=O)[O-])N

Technology Process of 2,6-Diamino-4-nitrotoluene

There total 5 articles about 2,6-Diamino-4-nitrotoluene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 70.0%

2-amino-4,6-dinitrotoluene (35572-78-2) → 2,6-diamino-4-nitrotoluene (59229-75-3)

Guidance literature:

With iron; In acetic acid; for 0.5h; Heating;

DOI:10.1080/00397919908086249

Reference yield: 57.3%

2,4,6-Trinitrotoluene (118-96-7) → 2,6-diamino-4-nitrotoluene (59229-75-3)

Guidance literature:

With iron(III) chloride; pyrographite; hydrazine hydrate; In methanol; at 5 - 50 ℃;

DOI:10.1081/SCC-100105379

Reference yield: 37.6%

2,4,6-Trinitrotoluene (118-96-7) → 2-amino-4,6-dinitrotoluene (35572-78-2) + 4-Amino-2,6-dinitrotoluene (19406-51-0,153919-64-3) + 2,6-diamino-4-nitrotoluene (59229-75-3) + 2,4-diamino-6-dinitrotoluene (6629-29-4)

Guidance literature:

With baker's yeast; In ethanol; water; at 32 ℃; Microbiological reaction;

DOI:10.1002/jlcr.556

upstream raw materials:

2-amino-4,6-dinitrotoluene

2,4,6-Trinitrotoluene

Refernces

• 1、 Miehr, Rosemarie,Tratnyek, Paul G.,Bandstra, Joel Z.,Scherer, Michelle M.,Alowitz, Michael J.,Bylaska, Eric J.. "Diversity of Contaminant Reduction Reactions by Zerovalent Iron: Role of the Reductate". . p. 139 - 147. Retrieved 2007/10/03.
• 2、 Oh, Seok-Young,Cha, Daniel K.,Kim, Byung J.,Chiu, Pei C.. "Effect of adsorption to elemental iron on the transformation of 2,4,6-trinitrotoluene and hexahydro-1,3,5-trinitro-1,3,5-triazine in solution". . p. 1384 - 1389. Retrieved 2007/10/03.