trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene

Base Information

• Chemical Name: trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene
• CAS No.: 207605-39-8
• Molecular Formula: C₈H₂F₅NO₂
• Molecular Weight: 239.101
• DSSTox Substance ID: DTXSID50420991
• Wikidata: Q76311751
• ChEMBL ID: CHEMBL2409306
• Mol file: 207605-39-8.mol

Synonyms:207605-39-8;trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene;1,2,3,4,5-pentafluoro-6-[(E)-2-nitroethenyl]benzene;CHEMBL2409306;ST51006781;1,2,3,4,5-pentafluoro-6-(2-nitroethenyl)benzene;SCHEMBL3860750;SCHEMBL3860754;DTXSID50420991;ANM100011;BDBM50562858;AKOS010878565;AKOS017433629;PD169676;EN300-1841024;trans-2,3,4,5,6-Pentafluoro- beta -nitrostyrene;J-013600;trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene, 96%

Chemical Property of trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene

Chemical Property:

• Vapor Pressure: 0.124mmHg at 25°C
• Melting Point: 19 °C(lit.)
• Refractive Index: n20/D 1.525(lit.)
• Boiling Point: 204 °C(lit.)
• Flash Point: >230 °F
• PSA: 45.82000
• Density: 1.591 g/mL at 25 °C(lit.)
• LogP: 3.15270
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 239.00056912
• Heavy Atom Count: 16
• Complexity: 279

Purity/Quality:

97% ^*data from raw suppliers

trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=C[N+](=O)[O-])C1=C(C(=C(C(=C1F)F)F)F)F
• Isomeric SMILES: C(=C/[N+](=O)[O-])\C1=C(C(=C(C(=C1F)F)F)F)F
• Uses: trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene may be used in chemical synthesis studies.

Technology Process of trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene

There total 8 articles about trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene 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: 58.0%

4-[(E)-2-nitrovinyl]morpholine (101419-83-4,18169-20-5) + 2,3,4,5,6-pentafluorophenylmagnesium bromide (879-05-0) → (E)-1,2,3,4,5-pentafluoro-6-(2-nitrovinyl)benzene (207605-39-8)

Guidance literature:

With chloro-trimethyl-silane; In diethyl ether; at -78 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1055/s-0032-1316553

Reference yield: 22.0%

nitromethane (75-52-5) + perfluorobenzaldehyde (653-37-2) → (E)-1,2,3,4,5-pentafluoro-6-(2-nitrovinyl)benzene (207605-39-8)

Guidance literature:

With ammonium acetate; for 14h; Inert atmosphere; Reflux;

DOI:10.1016/j.ejmech.2020.113148

Reference yield:

nitromethane (75-52-5) + perfluorobenzaldehyde (653-37-2) → 2,3,4,5,6-Pentafluor-β-nitro-styrol (885-31-4,207605-39-8)

Guidance literature:

With sodium hydroxide; In methanol; water; at 15 ℃; Inert atmosphere;

DOI:10.1055/s-0033-1338867

upstream raw materials:

2-nitro-1-(perfluorophenyl)ethanol

perfluorobenzaldehyde

nitromethane

4-[(E)-2-nitrovinyl]morpholine

Downstream raw materials:

C₂₄H₁₅F₄NO₃

C₂₄H₁₃F₄NO₃

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