4-Nitrobenzenediazonium hexafluorophosphate

Base Information

• Chemical Name: 4-Nitrobenzenediazonium hexafluorophosphate
• CAS No.: 1514-52-9
• Deprecated CAS: 120600-86-4,198975-26-7,198975-26-7
• Molecular Formula: C6H4N3O2
• Molecular Weight: 295.081
• European Community (EC) Number: 216-153-3
• DSSTox Substance ID: DTXSID0061741
• Mol file: 1514-52-9.mol

Synonyms:4-Nitrobenzenediazonium hexafluorophosphate;1514-52-9;p-Nitrophenyldiazonium hexafluorophosphate;Benzenediazonium, 4-nitro-, hexafluorophosphate(1-);4-nitrobenzenediazonium;hexafluorophosphate;EINECS 216-153-3;C6H4N3O2.F6P;DTXSID0061741;C6-H4-N3-O2.F6-P;FT-0756708;4-nitrobenzenediazonium hexafluorophosphate(V);Benzenediazonium, p-nitro-, hexafluorophosphate(1-);Benzenediazonium, 4-nitro-, hexafluorophosphate(1-) (1:1)

Chemical Property of 4-Nitrobenzenediazonium hexafluorophosphate

Chemical Property:

• Melting Point: 140 °C (dec.)(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 87.56000
• Density: g/cm³
• LogP: 5.98498
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 0
• Exact Mass: 294.99453235
• Heavy Atom Count: 18
• Complexity: 256

Purity/Quality:

98%Min ^*data from raw suppliers

4-NITROBENZENEDIAZONIUM HEXAFLUOROPHOSPHATE 98.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+]#N)[N+](=O)[O-].F[P-](F)(F)(F)(F)F

Technology Process of 4-Nitrobenzenediazonium hexafluorophosphate

There total 1 articles about 4-Nitrobenzenediazonium hexafluorophosphate 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: 78.0%

4-nitro-aniline (100-01-6,104810-17-5) → {p-NO2C6H4N2}{PF6} (1514-52-9)

Guidance literature:

With hydrogenchloride; hexafluorophosphoric acid; sodium nitrite; In water; at 0 ℃;

DOI:10.1039/a701745f

Reference yield: 89.0%

{p-NO2C6H4N2}{PF6} (1514-52-9) + tris-dimethylamino-sulfonium; 1,1,1,3,3,4,4,5,5,5-decafluoro-2-trifluoromethyl-pentan-2-ide (100645-92-9) → 4-nitro-2',2',3',3',4',4',4',-heptafluoro-1',1',-bis(trifluoromethyl)-benzene-1'-azobutane (100646-01-3)

Guidance literature:

In acetonitrile; at 0 - 25 ℃; for 1.5h;

DOI:10.1021/ja00276a033

Reference yield: 85.0%

carbon monoxide (201230-82-2) + tetramethylstannane (594-27-4) + {p-NO2C6H4N2}{PF6} (1514-52-9) → (4-nitrophenyl)ethanone (100-19-6)

Guidance literature:

palladium diacetate; In acetonitrile; for 1.5h; under 6619.6 Torr; Heating;

DOI:10.1246/cl.1982.35

upstream raw materials:

4-nitro-aniline

Downstream raw materials:

(4-nitrophenyl)ethanone

4-nitro-2',2',3',3',4',4',4',-heptafluoro-1',1',-bis(trifluoromethyl)-benzene-1'-azobutane

p-nitrobenzene iodide

1-phenyl-4-nitrobenzene