3,5-Dinitrotoluene

Base Information

• Chemical Name: 3,5-Dinitrotoluene
• CAS No.: 618-85-9
• Molecular Formula: C7H6 N2 O4
• Molecular Weight: 182.136
• Hs Code.: 2904203000
• European Community (EC) Number: 210-566-2
• NSC Number: 87348
• UNII: B651857LG8
• DSSTox Substance ID: DTXSID40210803
• Nikkaji Number: J7.039D
• Wikidata: Q27155955
• Mol file: 618-85-9.mol

Synonyms:3,5-dinitrotoluene

Chemical Property of 3,5-Dinitrotoluene

Chemical Property:

• Vapor Pressure: 0.00131mmHg at 25°C
• Melting Point: 92.5°C
• Refractive Index: 1.4790 (estimate)
• Boiling Point: 308℃
• Flash Point: 153℃
• PSA: 91.64000
• Density: 1.407
• LogP: 2.85780
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 182.03275668
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

99.9% ^*data from raw suppliers

3,5-DINITROTOLUENE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 45-23/24/25-48/22-62-68-52/53
• Safety Statements: 53-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
• Uses: 3,5-Dinitrotoluene occurs in technical grade dinitrotoluene and has no specific uses by itself.

Technology Process of 3,5-Dinitrotoluene

There total 24 articles about 3,5-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: 93.2%

4-methyl-2,6-dinitroaniline (6393-42-6) → 3,5-dinitrotoluene (618-85-9)

Guidance literature:

With sulfuric acid; sodium nitrite; In ethanol;

Reference yield: 72.0%

N-(4-methyl-2,6-dinitrophenyl)acetamide (49804-47-9) → 3,5-dinitrotoluene (618-85-9)

Guidance literature:

N-(4-methyl-2,6-dinitrophenyl)acetamide; With sulfuric acid;

With sulfuric acid; sodium nitrite; In ethanol;

DOI:10.1007/s00044-017-2030-7

Reference yield:

1-methyl-3-nitrobenzene (99-08-1) + sulfuric acid (7664-93-9) + nitric acid (7697-37-2,78989-43-2) → 3,5-dinitrotoluene (618-85-9) + 1-methyl-2,3-dinitrobenzene (602-01-7) + 3,4-Dinitrotoluene (610-39-9) + 2,5-dinitrotoluene (619-15-8)

Guidance literature:

at 60 - 85 ℃;

upstream raw materials:

1-methyl-3-nitrobenzene

2-chloro-1-methyl-3,5-dinitrobenzene

4-methyl-2,6-dinitroaniline

2-methyl-4,6-dinitroaniline

Downstream raw materials:

3-Nitro-5-methyl-triphenylamin

3,4,5-trinitrotoluene

1-methyl-2,3,5-trinitrobenzene

3-methyl-5-nitro-aniline

Refernces

• 1、 -. "PROCESS FOR THE PREPARATION OF NITRATED AROMATICS AND MIXTURES THEREOF". Page/Page column 5. . Retrieved 2012/01/03.
• 2、 Pare, J. R. Jocelyn,Belanger, Jacqueline. "A CLOSER LOOK AT 3,5-DINITROTOLUENE". . p. 711 - 716. Retrieved 2007/10/02.