Benzenamine, N-[(4-nitrophenyl)methylene]-

Base Information

• Chemical Name: Benzenamine, N-[(4-nitrophenyl)methylene]-
• CAS No.: 785-80-8
• Molecular Formula: C₁₃H₁₀N₂O₂
• Molecular Weight: 226.235
• European Community (EC) Number: 688-683-7
• NSC Number: 403941
• DSSTox Substance ID: DTXSID801310709
• Nikkaji Number: J104.654C
• ChEMBL ID: CHEMBL2397714,CHEMBL1885343
• Mol file: 785-80-8.mol

Synonyms:4-Nitrobenzalaniline;p-Nitrobenzaldehyde anil;1614-00-2;785-80-8;Aniline, N-(p-nitrobenzylidene)-;Benzenamine, N-[(4-nitrophenyl)methylene]-;N-(4-nitrobenzylidene)aniline;4-Nitrobenzylideneaniline;(p-Nitrobenzylidene)aniline;N-(p-Nitrobenzylidene)aniline;MLS003171555;Benzenamine, N-((4-nitrophenyl)methylene)-;[N(E)]-N-[(4-Nitrophenyl)methylidene]aniline;Benzenamine, N-[(4-nitrophenyl)methylene]-, [N(E)]-;N-(p-Nitrobenzylidine)aniline;NSC403941;4-Nitrobenzal-anilin;1-(4-nitrophenyl)-N-phenylmethanimine;(4-NITRO-BENZYLIDENE)-PHENYL-AMINE;(4-Nitrobenzylidene)aniline;SCHEMBL444243;CHEMBL1885343;CHEMBL2397714;DTXSID801310709;STK762754;AKOS001589928;NSC 403941;NSC-403941;SMR001875437;(E)-1-(4-nitrophenyl)-N-phenylmethanimine;N-[(1E)-(4-nitrophenyl)methylene]aniline;N-[(E)-(4-Nitrophenyl)methylidene]aniline;CS-0336972;EU-0001203;N-[(E)-(4-Nitrophenyl)methylidene]aniline #

Chemical Property of Benzenamine, N-[(4-nitrophenyl)methylene]-

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 382.642°C at 760 mmHg
• Flash Point: 185.216°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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzenamine, N-[(4-nitrophenyl)methylene]-

There total 25 articles about Benzenamine, N-[(4-nitrophenyl)methylene]- 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: 99.0%

4-nitrobenzyl chloride (619-73-8) + aniline (62-53-3) → p-nitrobenzylideneaniline (785-80-8,1614-00-2,40339-49-9)

Guidance literature:

With Au/Zn_0.02Al₂O₃; In toluene; at 60 ℃; for 7h; under 760.051 Torr;

DOI:10.1016/j.jcat.2019.07.027

Reference yield: 98.0%

4-nitrobenzaldehdye (555-16-8) + aniline (62-53-3) → p-nitrobenzylideneaniline (785-80-8,1614-00-2,40339-49-9)

Guidance literature:

With TiO₂ nanotubes; at 20 ℃; for 0.116667h; Neat (no solvent); Sunlight;

DOI:10.1016/j.cclet.2010.11.017

Reference yield: 93.0%

C33H25N5O3 → 2,4,6-Triphenyl-4H-1,3,4,5-oxatriazine (76875-19-9) + p-nitrobenzylideneaniline (785-80-8,1614-00-2,40339-49-9)

Guidance literature:

With acetic acid; In ethanol; for 0.333333h; Heating;

upstream raw materials:

4-nitrobenzaldehdye

aniline

N-(4-nitrobenzyl)aniline

dimethyl acetylenedicarboxylate

Downstream raw materials:

3-anilino-2-nitro-3-(4-nitro-phenyl)-propionitrile

3,3,6,6-tetramethyl-9-(4-nitrophenyl)-1,8-dioxodecahydroacridine

β,β-Bis-(phenylsulfonyl)-4-nitrostyrol

N-(4-nitrobenzylidene)aniline N-oxide