4-chloro-N-[(E)-2-nitro-1-phenylethenyl]aniline

Base Information

• Chemical Name: 4-chloro-N-[(E)-2-nitro-1-phenylethenyl]aniline
• CAS No.: 55577-69-0
• Molecular Formula: C₁₄H₁₁ClN₂O₂
• Molecular Weight: 274.707
• NSC Number: 518111
• DSSTox Substance ID: DTXSID50419744
• Wikidata: Q82230924

Synonyms:NSC518111;55577-69-0;DTXSID50419744;NSC-518111

Chemical Property of 4-chloro-N-[(E)-2-nitro-1-phenylethenyl]aniline

Chemical Property:

• Vapor Pressure: 5.53E-07mmHg at 25°C
• Boiling Point: 411.6°C at 760 mmHg
• Flash Point: 202.7°C
• Density: 1.334g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 274.0509053
• Heavy Atom Count: 19
• Complexity: 327

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=C[N+](=O)[O-])NC2=CC=C(C=C2)Cl
• Isomeric SMILES: C1=CC=C(C=C1)/C(=C\[N+](=O)[O-])/NC2=CC=C(C=C2)Cl

Technology Process of 4-chloro-N-[(E)-2-nitro-1-phenylethenyl]aniline

There total 3 articles about 4-chloro-N-[(E)-2-nitro-1-phenylethenyl]aniline 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:

phenylacetylene (536-74-3) → 4-chloro-N-(2-nitro-1-phenyl-vinyl)-aniline (55577-69-0)

Guidance literature:

Multi-step reaction with 2 steps

1: NOCl

With nitrosylchloride;

Reference yield:

(Ξ)-α-chloro-β-nitro-styrene (1199-21-9) + 4-chloro-aniline (106-47-8) → 4-chloro-N-(2-nitro-1-phenyl-vinyl)-aniline (55577-69-0)

Guidance literature:

Reference yield:

1-chloro-1-phenyl-2-nitroethene (1795-93-3) + 4-chloro-aniline (106-47-8) → 4-chloro-N-(2-nitro-1-phenyl-vinyl)-aniline (55577-69-0)

Guidance literature:

DOI:10.1039/P29750000272

upstream raw materials:

(Ξ)-α-chloro-β-nitro-styrene

4-chloro-aniline

1-chloro-1-phenyl-2-nitroethene

phenylacetylene

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