1-(5-Nitro-2-furyl)-2-nitroethylene

Base Information

• Chemical Name: 1-(5-Nitro-2-furyl)-2-nitroethylene
• CAS No.: 32782-46-0
• Molecular Formula: C6H4N2O5
• Molecular Weight: 184.11
• NSC Number: 35342
• UNII: UNV4X47LKT
• DSSTox Substance ID: DTXSID80878865
• Nikkaji Number: J1.036.473F,J69.807E
• Wikidata: Q76304856
• ChEMBL ID: CHEMBL507801
• Mol file: 32782-46-0.mol

Synonyms:Nitrofurilen;Nitrofurilene;1-(5-Nitro-2-furyl)-2-nitroethylene;2-Nitro-5-(2-nitrovinyl)furan;2-Nitro-5-(2-nitroethenyl)furan;830-07-9;CCRIS 5661;NSC 35342;Furan, 2-nitro-5-(2-nitrovinyl)-;trans-2-Nitro-5-(2-nitrovinyl)furan;32782-46-0;FURAN, 2-NITRO-5-(2-NITROVINYL)- (E)-;NSC-35342;FURAN, 2-NITRO-5-(2-NITROETHENYL)-;2-nitro-5-[(E)-2-nitroethenyl]furan;UNV4X47LKT;CHEMBL507801;DTXSID80878865;NSC35342;2-Nitro-5-[(E)-2-nitrovinyl]furan;1-(5-NO2-2-furyl)-2-(nitro)ethylene;2-Nitro-5-[(1E)-2-nitroethenyl]furan;LS-70265;LS-70266;Furan, 2-nitro-5-(2-nitrovinyl)-, (E)-;Furan, 2-nitro-5-[(1E)-2-nitroethenyl]-

Chemical Property of 1-(5-Nitro-2-furyl)-2-nitroethylene

Chemical Property:

• Vapor Pressure: 0.000615mmHg at 25°C
• Boiling Point: 319.9°C at 760 mmHg
• Flash Point: 147.3°C
• PSA: 104.78000
• Density: 1.517g/cm³
• LogP: 2.48160
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 184.01202123
• Heavy Atom Count: 13
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(5-Nitro-2-furyl)-2-nitroethylene

There total 7 articles about 1-(5-Nitro-2-furyl)-2-nitroethylene 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: 29.0%

5-nitrofurane-2-carboxaldehyde (698-63-5) + nitromethane (75-52-5) → 1-(5-Nitro-2-furyl)-2-nitroethylene (32782-46-0)

Guidance literature:

With potassium hydroxide; In methanol; at 0 ℃; for 2h;

Reference yield:

furfural (98-01-1) → 1-(5-Nitro-2-furyl)-2-nitroethylene (32782-46-0)

Guidance literature:

Multi-step reaction with 3 steps

1: methanol; aq. NaOH solution

2: acetic acid; bromine

3: aqueous nitric acid

With methanol; sodium hydroxide; bromine; nitric acid; acetic acid;

Reference yield:

1-nitro-2-(5-bromofur-2-yl)ethylene (61692-00-0) → 1-(5-Nitro-2-furyl)-2-nitroethylene (32782-46-0)

Guidance literature:

With nitric acid;

upstream raw materials:

5-nitrofurane-2-carboxaldehyde

nitromethane

1-nitro-2-(5-bromofur-2-yl)ethylene

furfural