3-[[4-[(2-Chloro-4-nitrophenyl)azo]phenyl]ethylamino]propiononitrile

Base Information

• Chemical Name: 3-[[4-[(2-Chloro-4-nitrophenyl)azo]phenyl]ethylamino]propiononitrile
• CAS No.: 40880-51-1
• Deprecated CAS: 12223-35-7,12223-40-4,12223-52-8,58129-00-3,683814-32-6
• Molecular Formula: C17H16ClN5O2
• Molecular Weight: 357.799
• Hs Code.: 2927000090
• European Community (EC) Number: 255-127-6,602-314-9
• DSSTox Substance ID: DTXSID60866023
• Nikkaji Number: J294.778A
• Mol file: 40880-51-1.mol

Synonyms:Disperse Red 50;40880-51-1;3-[[4-[(2-Chloro-4-nitrophenyl)azo]phenyl]ethylamino]propiononitrile;12223-35-7;C.I. Disperse Red 50;EINECS 255-127-6;3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propanenitrile;BRN 1845534;C17H16ClN5O2;4-(2-Chloro-4-nitrophenylazo)-N-(beta-cyanoethyl)-N-ethylaniline;3-((4-((2-Chloro-4-nitrophenyl)azo)phenyl)ethylamino)propanenitrile;Propanenitrile, 3-((4-((2-chloro-4-nitrophenyl)azo)phenyl)ethylamino)-;Propanenitrile, 3-(ethyl(4-((2-chloro-4-nitrophenyl)azo)phenyl)amino);Disperse Red S-ER;3-((4-((2-Chloro-4-nitrophenyl)azo)phenyl)ethylamino)propiononitrile;Propionitrile, 3-(p-((2-chloro-4-nitrophenyl)azo)-N-ethylanilino)-;Propanenitrile, 3-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]-;Propanenitrile, 3-((4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)ethylamino)-;C.I.Disperse Red 50;SCHEMBL11444005;DTXSID60866023;LS-120852;FT-0625337;Propanenitrile, 3-[[4-[(2-chloro-4-nitrophenyl) azo]phenyl]ethylamino]-

Chemical Property of 3-[[4-[(2-Chloro-4-nitrophenyl)azo]phenyl]ethylamino]propiononitrile

Chemical Property:

• Appearance/Colour: Purple powder
• Vapor Pressure: 0Pa at 25℃
• Boiling Point: 579.4 °C at 760mmHg
• PKA: 2.13±0.50(Predicted)
• Flash Point: 304.2 °C
• PSA: 97.57000
• Density: 1.27g/cm³
• LogP: 5.92678
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 357.0992525
• Heavy Atom Count: 25
• Complexity: 507

Purity/Quality:

99% ^*data from raw suppliers

Disperse Red 50 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-[[4-[(2-Chloro-4-nitrophenyl)azo]phenyl]ethylamino]propiononitrile

There total 1 articles about 3-[[4-[(2-Chloro-4-nitrophenyl)azo]phenyl]ethylamino]propiononitrile 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:

2-Chloro-4-nitroaniline (121-87-9) + N-ethyl-N-(2-cyanoethyl)aniline (148-87-8) → 2'-chloro-4'-nitro-4-(N-β-cyanoethyl-N-ethyl)amino-1,1'-azobenzene (40880-51-1,12223-35-7)

Guidance literature:

With sulfuric acid; sodium acetate; acetic acid; sodium nitrite; Yield given. Multistep reaction; 1.) 10 deg C, 2.) 5 deg C, overnight;

upstream raw materials:

2-Chloro-4-nitroaniline

N-ethyl-N-(2-cyanoethyl)aniline

Refernces

• 1、 Johri,Varshney. "Synthesis of some New Disperse Dyes". . p. 629 - 630. Retrieved 2007/10/03.