N-(4-Chlorophenyl)-2,4,6-trinitroaniline

Base Information

• Chemical Name: N-(4-Chlorophenyl)-2,4,6-trinitroaniline
• CAS No.: 34749-63-8
• Molecular Formula: C₁₂H₇ClN₄O₆
• Molecular Weight: 338.664
• NSC Number: 157487
• DSSTox Substance ID: DTXSID20956232
• Nikkaji Number: J1.427.498G
• Wikidata: Q82936214
• ChEMBL ID: CHEMBL1889401
• Mol file: 34749-63-8.mol

Synonyms:N-(4-Chlorophenyl)-2,4,6-trinitroaniline;MLS002920666;34749-63-8;4'-Chloro-2,4,6-trinitrodiphenylamine;SMR001798253;N-(4-chlorophenyl)-2,4,6-trinitro-aniline;NSC157487;(4-chlorophenyl)-picryl-amine;cid_291920;SCHEMBL2681112;CHEMBL1889401;BDBM91446;DTXSID20956232;NSC-157487;N-(4-Chlorophenyl)-2,4,6-trinitroaniline #;A822488

Chemical Property of N-(4-Chlorophenyl)-2,4,6-trinitroaniline

Chemical Property:

• Vapor Pressure: 3.81E-08mmHg at 25°C
• Boiling Point: 445.9°Cat760mmHg
• Flash Point: 223.5°C
• Density: 1.668g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 338.0054116
• Heavy Atom Count: 23
• Complexity: 444

Purity/Quality:

99% ，98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl

Technology Process of N-(4-Chlorophenyl)-2,4,6-trinitroaniline

There total 5 articles about N-(4-Chlorophenyl)-2,4,6-trinitroaniline 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: 99.5%

bis(2,4,6-trinitrophenyl) sulfone (10580-80-0) + 4-chloro-aniline (106-47-8) → 4-chlorophenyl (2,4,6-trinitrophenyl)amine (34749-63-8) + 4-chloro-aniline; compound with 1,3,5-trinitro-benzene (31042-98-5)

Guidance literature:

With air; In benzene; at 20 ℃; for 2h; Product distribution;

Reference yield:

2,4,6-trinitrophenyl phenyl ether (6973-40-6) + 4-chloro-aniline (106-47-8) → 4-chlorophenyl (2,4,6-trinitrophenyl)amine (34749-63-8) + phenol (108-95-2,27073-41-2)

Guidance literature:

In benzene; at 5 - 35 ℃; Kinetics; Thermodynamic data; ΔH(excit.), ΔS(excit.);

Reference yield:

2,4,6-trinitrochlorobenzene (88-88-0) + 4-chloro-aniline (106-47-8) → 4-chlorophenyl (2,4,6-trinitrophenyl)amine (34749-63-8)

Guidance literature:

With ethanol;

upstream raw materials:

2,4,6-trinitrochlorobenzene

4-chloro-aniline

2,4,6-trinitrophenyl phenyl ether

bis(2,4,6-trinitrophenyl) sulfone

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