2-Hydroxylamino-4-nitrotoluene

Base Information

• Chemical Name: 2-Hydroxylamino-4-nitrotoluene
• CAS No.: 95860-07-4
• Molecular Formula: C7H8 N2 O3
• Molecular Weight: 168.152
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID00241991
• Nikkaji Number: J1.001.987G
• Wikidata: Q83125570
• Mol file: 95860-07-4.mol

Synonyms:2-Hydroxylamino-4-nitrotoluene;CCRIS 4404;95860-07-4;Benzenamine, N-hydroxy-2-methyl-5-nitro-;N-Hydroxy-2-methyl-5-nitrobenzenamine;SCHEMBL2819067;2-(Hydroxyamino)-4-nitrotoluene;DTXSID00241991;AKOS006276272;LS-28350

Chemical Property of 2-Hydroxylamino-4-nitrotoluene

Chemical Property:

• Vapor Pressure: 0.000162mmHg at 25°C
• Boiling Point: 317.4°Cat760mmHg
• Flash Point: 145.8°C
• PSA: 78.08000
• Density: 1.424g/cm³
• LogP: 2.30050
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 168.05349212
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

2-HYDROXYLAMINO-4-NITROTOLUENE 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

Technology Process of 2-Hydroxylamino-4-nitrotoluene

There total 2 articles about 2-Hydroxylamino-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:

2,4-dinitrotoluene (121-14-2) → 4-hydroxylamino-2-nitrotoluene (43192-03-6) + 4-methylbenzene-1,3-diamine (95-80-7,71111-07-4) + 2-hydroxylamino-4-nitrotoluene (95860-07-4) + 4-Methyl-3-nitroanilin (119-32-4) + 2-methyl-5-nitroaniline (99-55-8)

Guidance literature:

With cecal microflora of rats; Product distribution; under anaerobic conditions;

DOI:10.1248/cpb.33.327

Reference yield:

2,4-dinitrotoluene (121-14-2) → 4-hydroxylamino-2-nitrotoluene (43192-03-6) + 2-hydroxylamino-4-nitrotoluene (95860-07-4)

Guidance literature:

With zinc; In ethanol; at 40 ℃; for 0.5h;

DOI:10.1248/cpb.33.327

Reference yield:

2-hydroxylamino-4-nitrotoluene (95860-07-4) → 2-methyl-5-nitroaniline (99-55-8)

Guidance literature:

With sodium sulfide; sodium 2-mercaptoacetate; In aq. phosphate buffer; at 40 ℃; for 0.25h; pH=9;

DOI:10.1002/cbic.201500070

upstream raw materials:

2,4-dinitrotoluene

Downstream raw materials:

2-methyl-5-nitroaniline