1,6-Dinitropyrene

Base Information

• Chemical Name: 1,6-Dinitropyrene
• CAS No.: 42397-64-8
• Molecular Formula: C16H8 N2 O4
• Molecular Weight: 292.251
• Hs Code.: 2904209090
• European Community (EC) Number: 636-984-9
• UNII: 66Q2ZUF83N
• DSSTox Substance ID: DTXSID90872819
• Nikkaji Number: J35.398A
• Wikidata: Q27115788
• NCI Thesaurus Code: C44299
• ChEMBL ID: CHEMBL349860
• Mol file: 42397-64-8.mol

Synonyms:1,6-dinitropyrene

Chemical Property of 1,6-Dinitropyrene

Chemical Property:

• Vapor Pressure: 3.27E-10mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Refractive Index: 1.5800 (estimate)
• Boiling Point: 515.2°C at 760 mmHg
• Flash Point: 261.6°C
• PSA: 91.64000
• Density: 1.574g/cm³
• LogP: 5.44680
• Storage Temp.: −20°C
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 292.04840674
• Heavy Atom Count: 22
• Complexity: 442

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,6-Dinitropyrene 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 45
• Safety Statements: 53-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)[N+](=O)[O-])[N+](=O)[O-]
• Uses: There is no evidence that 1,6-dinitropyrene has been used for any commercial purpose (IARC 1989). 1,6-Dinitropyrene is available for research purposes at a purity of 98% or higher. It is also available in 14C- or 3H-labeled form at a radiochemical purity of 98% or higher.

Technology Process of 1,6-Dinitropyrene

There total 4 articles about 1,6-Dinitropyrene 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:

1-aminopyrene (1606-67-3) → 1-nitropyrene (5522-43-0) + 1,8-dinitropyrene (42397-65-9) + 1,6-dinitropyrene (42397-64-8) + 1,3-dinitropyrene (75321-20-9)

Guidance literature:

With copper(II) sulfate; sodium nitrite; In hydrogenchloride; for 20h; Yield given; Ambient temperature; pH: 3;

Reference yield:

1,8-diaminopyrene (30269-04-6) → 1-nitropyrene (5522-43-0) + 1,8-dinitropyrene (42397-65-9) + 1,6-dinitropyrene (42397-64-8) + 1,3-dinitropyrene (75321-20-9)

Guidance literature:

With copper(II) sulfate; sodium nitrite; In hydrogenchloride; for 20h; Yield given; Ambient temperature; pH: 3;

Reference yield:

1,6-diaminopyrene (14923-84-3) → 1-nitropyrene (5522-43-0) + 1,8-dinitropyrene (42397-65-9) + 1,6-dinitropyrene (42397-64-8) + 1,3-dinitropyrene (75321-20-9)

Guidance literature:

With copper(II) sulfate; sodium nitrite; In hydrogenchloride; for 20h; Yield given; Ambient temperature; pH: 3;

upstream raw materials:

1-aminopyrene

1,8-diaminopyrene

1,6-diaminopyrene

1,3-diaminopyrene

Downstream raw materials:

1,6-diaminopyrene

Refernces