2-Amino-4,6-dinitrotoluene

Base Information

• Chemical Name: 2-Amino-4,6-dinitrotoluene
• CAS No.: 35572-78-2
• Molecular Formula: C7H7 N3 O4
• Molecular Weight: 197.15
• Hs Code.: 2921430090
• European Community (EC) Number: 690-132-0
• UNII: 189OOM840S
• DSSTox Substance ID: DTXSID6044068
• Nikkaji Number: J48.076B
• Wikidata: Q27109181
• Mol file: 35572-78-2.mol

Synonyms:2,4-dinitro-6-aminotoluene;2-amino-4,6-dinitrotoluene;2-methyl-3,5-dinitroaniline

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

Chemical Property:

• Vapor Pressure: 8.6E-07mmHg at 25°C
• Melting Point: 135 °C
• Refractive Index: 1.5860 (estimate)
• Boiling Point: 405.7°Cat760mmHg
• PKA: 0.11±0.10(Predicted)
• Flash Point: 199.2°C
• PSA: 117.66000
• Density: 1.497g/cm³
• LogP: 3.02120
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 197.04365571
• Heavy Atom Count: 14
• Complexity: 246

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methyl-3,5-dinitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,T,F
• Hazard Codes: Xi,T,F,Xn,N
• Statements: 11-23/24/25-36/37/38-36-20/21/22-51/53-33
• Safety Statements: 16-27-45-36/37-26-61-28

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitros, Aromatic
• Canonical SMILES: CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N

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

There total 19 articles about 2-Amino-4,6-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: 71.0%

2,4,6-Trinitrotoluene (118-96-7) → 2-amino-4,6-dinitrotoluene (35572-78-2)

Guidance literature:

With iron(III) chloride; hydrazine; In methanol; acetic acid; at 60 ℃; for 2h;

DOI:10.1023/A:1013111016841

Reference yield: 63.0%

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)

Guidance literature:

With iron; acetic acid;

DOI:10.1039/b110972c

Reference yield: 60.0%

N-(2-methyl-3,5-dinitrophenyl)phthalimide (311787-17-4) → 2-amino-4,6-dinitrotoluene (35572-78-2)

Guidance literature:

With water; hydrazine; for 5h; Heating;

DOI:10.1023/A:1013111016841

upstream raw materials:

2,4,6-Trinitrotoluene

zoalene

3,5-dinitro-o-toluic acid

hydrogenchloride

Downstream raw materials:

N-acetyl-2-amino-4,6-dinitrotoluene

N-methyl-2-amino-N,3,4,5,6-pentanitrotoluene

4-Amino-2,3,5,6-tetranitrotoluene

2,3,4,5,6-pentanitrotoluene

Refernces

• 1、 Leibzon,Michalchenko,Leonova,Gultyai. "Change in regioselectivity in the monoreduction of 2,4,6-trinitrotoluene with titanium(III) and vanadium(II) ions in the presence of iron(II) and copper(II) salts". . p. 1203 - 1207. Retrieved 2007/10/03.
• 2、 Graham, Duncan,Kennedy, Alan R.,McHugh, Callum J.,Smith, W. Ewen,David, William I. F.,Shankland, Kenneth,Shankland, Norman. "The crystal structures of three primary products from the selective reduction of 2,4,6-trinitrotoluene". . p. 161 - 165. Retrieved 2007/10/03.