4-Hydroxylamino-2,6-dinitrotoluene

Base Information

• Chemical Name: 4-Hydroxylamino-2,6-dinitrotoluene
• CAS No.: 59283-75-9
• Molecular Formula: C7H7N3O5
• Molecular Weight: 213.15
• DSSTox Substance ID: DTXSID60208005
• Nikkaji Number: J652.388I
• Wikidata: Q27109297
• Mol file: 59283-75-9.mol

Synonyms:4-HADNT;4-hydroxylamino-2,6-dinitrotoluene

Chemical Property of 4-Hydroxylamino-2,6-dinitrotoluene

Chemical Property:

• Vapor Pressure: 2.62E-05mmHg at 25°C
• Melting Point: 135-136 °C
• Boiling Point: 343.8°C at 760 mmHg
• PKA: 7.49±0.70(Predicted)
• Flash Point: 161.7°C
• PSA: 123.90000
• Density: 1.641g/cm³
• LogP: 2.73190
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 213.03857033
• Heavy Atom Count: 15
• Complexity: 236

Purity/Quality:

98% ^*data from raw suppliers

4-HYDROXYLAMINO-2,6-DINITROTOLUENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1[N+](=O)[O-])NO)[N+](=O)[O-]

Technology Process of 4-Hydroxylamino-2,6-dinitrotoluene

There total 10 articles about 4-Hydroxylamino-2,6-dinitrotoluene 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: 75.0%

2,4,6-Trinitrotoluene (118-96-7) + [ring-14C]-2,4,6-trinitrotoluene (164534-18-3) → 2-Hydroxylamino-4,6-dinitrotoluene (59283-76-0) + 2,6-dinitro-4-hydroxylaminotoluene (59283-75-9)

Guidance literature:

With Clostridium acetobutylicum; hydrogen; In methanol; water; for 24h; pH=7.8; Title compound not separated from byproducts; Microbiological reaction;

DOI:10.1021/es970612s

Reference yield:

2,4,6-Trinitrotoluene (118-96-7) → 2,6-dinitro-4-hydroxylaminotoluene (59283-75-9)

Guidance literature:

With sodium acetate; acetic acid; at 40 - 50 ℃; bei der elektrolytischen Reduktion an einer Silberkathode;

Reference yield:

concentrated NH4 OH + 2,3,4-trinitrotoluene (602-29-9) + 4-Amino-2,6-dinitrotoluene (19406-51-0,153919-64-3) + hydrogen sulfide (7783-06-4) → 2,6-dinitro-4-hydroxylaminotoluene (59283-75-9)

Guidance literature:

In 1,4-dioxane; (2S)-N-methyl-1-phenylpropan-2-amine hydrate;

upstream raw materials:

2,4,6-Trinitrotoluene

[ring-14C]-2,4,6-trinitrotoluene

ethanol

hydrogen sulfide

Downstream raw materials:

bis-(4-methyl-3,5-dinitro-phenyl)-diazene

2,2',6,6'-tetranitro-4,4'-azoxytoluene

4-Amino-2,6-dinitrotoluene

C₁₄H₁₁N₅O₈

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