Benzenamine, 4-nitro-N-(phenylmethylene)-

Base Information

• Chemical Name: Benzenamine, 4-nitro-N-(phenylmethylene)-
• CAS No.: 785-81-9
• Molecular Formula: C₁₃H₁₀N₂O₂
• Molecular Weight: 226.235
• European Community (EC) Number: 654-423-6
• NSC Number: 96633
• Nikkaji Number: J328.245G
• Mol file: 785-81-9.mol

Synonyms:Benzenamine, 4-nitro-N-(phenylmethylene)-;N-(4-nitrophenyl)-1-phenylmethanimine;69173-79-1;Benzylidene-(4-nitrophenyl)-amine;N-Benzylidene-4-nitroaniline;p-nitrobenzalaniline;NSC96633;785-81-9;Benzyliden-4-nitroanilin;SCHEMBL1876224;NYJOAZXGKLCRSV-UHFFFAOYSA-N;NSC-96633;AKOS024332436;SR-01000078293;(E)-N-(4-NITROPHENYL)-1-PHENYLMETHANIMINE;SR-01000078293-1

Chemical Property of Benzenamine, 4-nitro-N-(phenylmethylene)-

Chemical Property:

• Vapor Pressure: 3.12E-06mmHg at 25°C
• Boiling Point: 399.6°Cat760mmHg
• Flash Point: 195.5°C
• PSA: 58.18000
• Density: 1.16g/cm³
• LogP: 3.86860
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 226.074227566
• Heavy Atom Count: 17
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

N-Benzylidene-p-nitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzenamine, 4-nitro-N-(phenylmethylene)-

There total 39 articles about Benzenamine, 4-nitro-N-(phenylmethylene)- 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: 100.0%

benzaldehyde (100-52-7) + 4-nitro-aniline (100-01-6,104810-17-5) → 4-nitro-N-(phenylmethylene)benzenamine (785-81-9,1613-94-1,40339-44-4)

Guidance literature:

In toluene; at 120 ℃; for 24h;

DOI:10.1016/j.tetlet.2007.07.201

Reference yield: 88.0%

4-nitro-aniline (100-01-6,104810-17-5) + benzyl alcohol (100-51-6,185532-71-2) → 4-nitro-N-(phenylmethylene)benzenamine (785-81-9,1613-94-1,40339-44-4)

Guidance literature:

With C₂₈H₂₇ClN₂Ru; caesium carbonate; In toluene; at 110 ℃; for 12h; Solvent;

DOI:10.1002/aoc.5200

Reference yield: 82.0%

N-phenyl(methylidene)cyclohexanamine (2211-66-7) + 4-nitro-aniline (100-01-6,104810-17-5) → 4-nitro-N-(phenylmethylene)benzenamine (785-81-9,1613-94-1,40339-44-4)

Guidance literature:

In acetic acid; at 25 ℃; for 0.25h;

DOI:10.1039/c39820001000

upstream raw materials:

N,N'-bis-(4-nitro-phenyl)-benzylidenediamine

benzylidene phenylamine

benzaldehyde

4-nitro-aniline

Downstream raw materials:

N-(4-nitrophenyl)hexanamide

(3-nitro-benzylidene)-(4-nitro-phenyl)-amine

benzylidene phenylamine

N-benzyl-4-nitroaniline