Picrate

Base Information

• Chemical Name: Picrate
• CAS No.: 14798-26-6
• Molecular Formula: C6H2N3O7-
• Molecular Weight: 228.098
• DSSTox Substance ID: DTXSID00403239
• Nikkaji Number: J82.397J
• Wikidata: Q27159059
• Mol file: 14798-26-6.mol

Synonyms:2,4,6-trinitrophenol;picrate;picric acid;picric acid, ammonium salt;picric acid, lead (2+) salt;picric acid, potassium salt;picric acid, sodium salt;trinitrophenol

Chemical Property of Picrate

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 303.56°C at 760 mmHg
• Flash Point: 133.896°C
• PSA: 160.52000
• LogP: 3.12460
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 227.98927441
• Heavy Atom Count: 16
• Complexity: 292

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Picrate

There total 62 articles about 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: 38.0%

ethyl-picryl sulfide (41577-89-3) → 1,4-Bis-aethylthio-2,6-dinitrobenzol (41577-90-6) + picrate anion (14798-26-6) + 5-Ethoxy-2-ethylsulfanyl-1,3-dinitro-benzene (76671-54-0)

Guidance literature:

With sodium ethanolate; In dimethylsulfoxide-d6; for 168h; Ambient temperature;

DOI:10.1016/S0040-4039(00)78750-8

Reference yield: 35.0%

ethyl-picryl sulfide (41577-89-3) + sodium ethanolate (141-52-6) → 1,4-Bis-aethylthio-2,6-dinitrobenzol (41577-90-6) + picrate anion (14798-26-6) + 5-Ethoxy-2-ethylsulfanyl-1,3-dinitro-benzene (76671-54-0)

Guidance literature:

In dimethylsulfoxide-d6; for 168h; Ambient temperature;

DOI:10.1016/S0040-4039(00)78750-8

Reference yield:

4-nitro-benzaldehyde-(O-picryl-seqtrans-oxime ) (115828-63-2) → picrate anion (14798-26-6) + 4-nitrobenzonitrile (619-72-7)

Guidance literature:

With triethylamine; In acetonitrile; at 25 ℃; Rate constant; further reagents;

DOI:10.1021/ja00226a032

upstream raw materials:

hexamethylenetetramine

picryl acetate

2,4,6-trinitro-phenetole

sodium thioethylate

Downstream raw materials:

2-methylazinium (2,4,6)-trinitrophenolate

C₆H₄N₃O₇^(3-)

{Ag(C₁₅H₂₆P₂)2}⁽¹⁺⁾*OC₆H₂(NO₂)3^(1-)={Ag(C₁₅H₂₆P₂)2}OC₆H₂(NO₂)3

{(C₆H₆)2Cr}⁽¹⁺⁾*{OC₆H₂(NO₂)3}^(1-)={(C₆H₆)2Cr}{OC₆H₂(NO₂)3}