Dinitramine

Base Information

• Chemical Name: Dinitramine
• CAS No.: 29091-05-2
• Molecular Formula: C11H13 F3 N4 O4
• Molecular Weight: 322.244
• Hs Code.: 29215190
• European Community (EC) Number: 249-419-2
• UNII: XHQ6D15979
• DSSTox Substance ID: DTXSID9040265
• Nikkaji Number: J20.297E
• Wikidata: Q27155666
• ChEMBL ID: CHEMBL1223066
• Mol file: 29091-05-2.mol

Synonyms:Cobex;diethamine;dinitramine;USB 3584

Chemical Property of Dinitramine

Chemical Property:

• Appearance/Colour: Yellow crystals.
• Melting Point: 98-99 ºC
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 409.1°Cat760mmHg
• PKA: -0.39±0.50(Predicted)
• Flash Point: 201.2°C
• PSA: 120.90000
• Density: 1.465g/cm³
• LogP: 4.57780
• Water Solubility.: 1.1mg/L(25 oC)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 322.08888939
• Heavy Atom Count: 22
• Complexity: 419

Purity/Quality:

98%min ^*data from raw suppliers

Dinitramine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn;N,N,Xn
• Statements: 21-50/53
• Safety Statements: 36/37-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Nitroaromatic
• Canonical SMILES: CCN(CC)C1=C(C=C(C(=C1[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-]
• Uses: Dinitramine, is a herbicide that has been used particularly n soybean fields

Technology Process of Dinitramine

There total 2 articles about Dinitramine 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-Chloro-4-diethylamino-3,5-dinitrotrifluoromethylbenzene (36438-51-4) → N1,N1-diethyl-2,6-dinitro-4-trifluoromethyl-m-phenylenediamine (29091-05-2)

Guidance literature:

With ammonia; In 1,4-dioxane; at 100 ℃; for 40h; Sealed flask;

DOI:10.1016/j.bmcl.2010.07.003

Reference yield:

→ N1,N1-diethyl-2,6-dinitro-4-trifluoromethyl-m-phenylenediamine (29091-05-2)

Guidance literature:

upstream raw materials:

2-Chloro-4-diethylamino-3,5-dinitrotrifluoromethylbenzene

Refernces

• 1、 -. "Synergistic herbicidal compositions comprising 4-benzoylisoxazole and dinitroaniline herbicides". . . Retrieved 2008/06/13.
• 2、 -. "Removal of nitrosamines from denitroanilines by treatment with HCl". . . Retrieved 2008/06/13.