Tetrabutylammonium picrate

Base Information

• Chemical Name: Tetrabutylammonium picrate
• CAS No.: 914-45-4
• Molecular Formula: C22H38N4O7
• Molecular Weight: 470.566
• European Community (EC) Number: 213-018-0
• NSC Number: 97361
• UNII: XM92978ZCT
• DSSTox Substance ID: DTXSID60238544
• Mol file: 914-45-4.mol

Synonyms:Tetrabutylammonium picrate;Tetra-N-butylammonium picrate;AMMONIUM, TETRABUTYL-, PICRATE;EINECS 213-018-0;NSC 97361;914-45-4;Tetrabutylammonio, salt with 2,4,6-trinitrophenol (1:1);XM92978ZCT;1-Butanaminium, N,N,N-tributyl-, salt with 2,4,6-trinitrophenol (1:1);NSC-97361;Ammonium, picrate;UNII-XM92978ZCT;SCHEMBL11048390;DTXSID60238544;C16H36N.C6H2N3O7;NSC97361;LS-19023;WLN: WNR BO CNW ENW &4K4&4&4;C16-H36-N.C6-H2-N3-O7;1-Butanaminium, N,N,N-tributyl-, 2,4,6-trinitrophenol (1:1);1-Butanaminium,N,N-tributyl-, salt with 2,4,6-trinitrophenol (1:1)

Chemical Property of Tetrabutylammonium picrate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 470.27404956
• Heavy Atom Count: 33
• Complexity: 408

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Tetrabutylammonium picrate

There total 8 articles about Tetrabutylammonium picrate 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: 49.0%

2,4,6-trinitrochlorobenzene (88-88-0) + tetramethylammonium tetrabutylborate (15225-54-4) → tetra-n-butylammonium picrate (914-45-4)

Guidance literature:

In tetrahydrofuran;

Reference yield:

picryl fluoride (364-44-3) + tetrabutylammonium perchlorate (1923-70-2) → tetra-n-butylammonium picrate (914-45-4)

Guidance literature:

With potassium trimethylstannate; Multistep reaction; THF;

Reference yield:

tetra(n-butyl)ammonium hydroxide (2052-49-5) + 2,4,6-Trinitrophenol (88-89-1) → tetra-n-butylammonium picrate (914-45-4)

Guidance literature:

In methanol;

DOI:10.1039/f19827802807

upstream raw materials:

2,4,6-trinitrochlorobenzene

tetramethylammonium tetrabutylborate

picryl fluoride

tetrabutylammonium perchlorate

Downstream raw materials:

tetrabutylammonium perchlorate

triethyl-amine; picrate

rubidium picrate

potassium picrate

Refernces

• 1、 Kuett, Agnes,Rodima, Toomas,Saame, Jaan,Raamat, Elin,Maeemets, Vahur,Kaljurand, Ivari,Koppel, Ilmar A.,Garlyauskayte, Romute Yu.,Yagupolskii, Yurii L.,Yagupolskii, Lev M.,Bernhardt, Eduard,Willner, Helge,Leito, Ivo. "Equilibrium acidities of superacids". supporting information; experimental part. p. 391 - 395. Retrieved 2011/04/17.
• 2、 Mashkovsky, Alexander A.,Nabiullin, Ahat A.,Odinokov, Stanislav E.. "Infrared Spectroscopic Studies of Hydrogen Bonding in Triethylammonium Slats. Part 4. Rearrangement of Hydrogen-bonded Ion Pairs of Triethylammonium Salts caused by Interaction with Tetrabutylammonium Salts in Solution". . p. 1879 - 1884. Retrieved 2007/10/02.