N-benzyl-5-chloro-2-nitroaniline

Base Information

• Chemical Name: N-benzyl-5-chloro-2-nitroaniline
• CAS No.: 10066-19-0
• Molecular Formula: C13H11ClN2O2
• Molecular Weight: 262.69200
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID20386631
• Wikidata: Q82180191
• Mol file: 10066-19-0.mol

Synonyms:N-benzyl-5-chloro-2-nitroaniline;10066-19-0;N-benzyl-N-(2-nitro-5-chlorophenyl) amine;CBMicro_032456;Oprea1_149010;SCHEMBL6474912;DTXSID20386631;QNBUOSQMMPVAOB-UHFFFAOYSA-N;STK032762;AKOS000291470;BIM-0032458.P001;AN-584/12282002;SR-01000219543;SR-01000219543-1

Chemical Property of N-benzyl-5-chloro-2-nitroaniline

Chemical Property:

• PSA: 57.85000
• LogP: 4.45650
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 262.0509053
• Heavy Atom Count: 18
• Complexity: 277

Purity/Quality:

N-BENZYL-5-CHLORO-2-NITROANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Technology Process of N-benzyl-5-chloro-2-nitroaniline

There total 6 articles about N-benzyl-5-chloro-2-nitroaniline 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: 95.0%

5-chloro-2-nitroaniline (1635-61-6) + benzyl bromide (100-39-0) → N-benzyl-N-(2-nitro-5-chlorophenyl)-amine (10066-19-0)

Guidance literature:

In water; at 100 ℃; for 1.5h;

DOI:10.1039/c2gc36377a

Reference yield: 95.0%

4-chloro-2-fluoro-nitrobenzene (700-37-8) + benzylamine (100-46-9) → N-benzyl-N-(2-nitro-5-chlorophenyl)-amine (10066-19-0)

Guidance literature:

In water; at 100 ℃; for 1h;

DOI:10.1039/c3gc37004f

Reference yield: 70.0%

3,4-dinitro-chlorobenzene (610-40-2) + benzylamine (100-46-9) → N-benzyl-N-(2-nitro-5-chlorophenyl)-amine (10066-19-0) + N-Benzyl-2,4-dinitroanilin

Guidance literature:

In methanol; at 20 ℃; for 3h;

DOI:10.1007/s11178-005-0043-z

upstream raw materials:

3,4-dinitro-chlorobenzene

benzylamine

5-chloro-2-nitroaniline

benzaldehyde

Downstream raw materials:

N²-benzyl-4-chloro-o-phenylenediamine

5-chloro-2-phenyl-1H-benzimidazole

N-benzyl-N-(2'-nitro-5'-chloro-phenyl)-malonamic acid ethyl ester

1-benzyl-6-chloro-2-phenyl-1H-benzo[d]imidazole