4-Chloro-4'-nitrostilbene

Base Information

• Chemical Name: 4-Chloro-4'-nitrostilbene
• CAS No.: 3757-16-2
• Molecular Formula: C14H10ClNO2
• Molecular Weight: 259.692
• DSSTox Substance ID: DTXSID001030567
• Nikkaji Number: J613.183B,J925.344K
• Mol file: 3757-16-2.mol

Synonyms:4-Chloro-4'-nitrostilbene;14064-55-2;Stilbene, 4-chloro-4'-nitro-;(E)-4-Chloro-4'-nitrostilbene;(E)-1-Chloro-4-(2-(4-nitrophenyl)ethenyl)benzene;3757-16-2;Benzene, 1-chloro-4-(2-(4-nitrophenyl)ethenyl)-, (E)-;Benzene, 1-chloro-4-[(1E)-2-(4-nitrophenyl)ethenyl]-;CCRIS 8539;1-[(E)-2-(4-chlorophenyl)ethenyl]-4-nitrobenzene;SCHEMBL3366102;SCHEMBL3366106;WKGWMIAHCAJHPK-OWOJBTEDSA-N;DTXSID001030567;LS-29514;(E)-1-chloro-4-[2-(4-nitrophenyl)ethenyl]-benzene

Chemical Property of 4-Chloro-4'-nitrostilbene

Chemical Property:

• Vapor Pressure: 1.47E-05mmHg at 25°C
• Boiling Point: 377.4°C at 760 mmHg
• Flash Point: 182°C
• PSA: 45.82000
• Density: 1.322g/cm³
• LogP: 4.94180
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 259.0400063
• Heavy Atom Count: 18
• Complexity: 297

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC2=CC=C(C=C2)Cl)[N+](=O)[O-]
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)Cl)[N+](=O)[O-]

Technology Process of 4-Chloro-4'-nitrostilbene

There total 26 articles about 4-Chloro-4'-nitrostilbene 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: 97.0%

4-vinylbenzyl chloride (1073-67-2,24991-47-7) + para-nitrophenyl bromide (586-78-7) → (E)-4-chloro-4'-nitrostilbene (14064-55-2,3757-16-2,14064-70-1)

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; bis-<(4-Cl-2-PdCl-Ph)-(4-Cl-Ph)-methanone oxime>; In N,N-dimethyl-formamide; at 130 ℃; for 4h; Further Variations:; Reaction partners; Reagents; Temperatures; Product distribution;

DOI:10.1002/1615-4169(200202)344:2<172::AID-ADSC172>3.0.CO;2-9

Reference yield: 95.0%

4-vinylbenzyl chloride (1073-67-2,24991-47-7) + p-nitrobenzene iodide (636-98-6) → 1-(4-nitrostyryl)-4-chlorobenzene (3757-16-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 5h;

DOI:10.1016/j.jorganchem.2020.121676

Reference yield: 95.0%

diethyl p-nitrobenzylphosphonate (2609-49-6) + 4-chlorobenzaldehyde (104-88-1) → (E)-4-chloro-4'-nitrostilbene (14064-55-2,3757-16-2,14064-70-1)

Guidance literature:

upstream raw materials:

4-nitrobenzyltriphenylarsonium bromide

4-chlorobenzaldehyde

(4-chlorobenzyl)triphenylphosphonium bromide

4-nitrobenzaldehdye

Downstream raw materials:

meso-p-chloro-p'-nitrostilbene dibromide

(E)-(4-aminophenyl)(4'-chlorophenyl)ethene

1-(4-chlorophenyl)-1,2-dibromo-2-(4'-nitrophenyl)ethane