Benzonitrile, 2-[[4-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]azo]-5-nitro-

Base Information

• Chemical Name: Benzonitrile, 2-[[4-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]azo]-5-nitro-
• CAS No.: 12223-39-1
• Deprecated CAS: 62996-34-3,65605-40-5,73299-47-5,65605-40-5,73299-47-5
• Molecular Formula: C20H18N6O4
• Molecular Weight: 406.401
• European Community (EC) Number: 235-418-4
• DSSTox Substance ID: DTXSID0065274
• Nikkaji Number: J93.928E
• Mol file: 12223-39-1.mol

Synonyms:12223-39-1;Benzonitrile, 2-[[4-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]azo]-5-nitro-;EINECS 235-418-4;2-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl acetate;4-((2-Cyano-4-nitrophenyl)azo)-N-(2-cyanoethyl)-N-(2-acetoxyethyl)aniline;2-((4-((2-Cyano-3-nitrophenyl)azo)phenyl)(2-cyanoethyl)amino)ethylacetate;Benzonitrile, 2-((4-((2-(acetyloxy)ethyl)(2-cyanoethyl)amino)phenyl)azo)-5-nitro-;Benzonitrile, 2-(2-(4-((2-(acetyloxy)ethyl)(2-cyanoethyl)amino)phenyl)diazenyl)-5-nitro-;Benzonitrile, 2-[2-[4-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]diazenyl]-5-nitro-;C.I. Disperse Red 72;SCHEMBL9587843;DTXSID0065274;Benzonitrile, 2-[[4-[[2-(acetyloxy)ethyl] (2-cyanoethyl)amino]phenyl]azo]-5-nitro-;C.I.11114;2-[[4-[(2-cyano-3-nitrophenyl)azo]phenyl](2-cyanoethyl)amino]ethyl acetate

Chemical Property of Benzonitrile, 2-[[4-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]azo]-5-nitro-

Chemical Property:

• Vapor Pressure: 5.09E-17mmHg at 25°C
• Refractive Index: 1.613
• Boiling Point: 654.7 °C at 760 mmHg
• PKA: 1.17±0.50(Predicted)
• Flash Point: 349.8 °C
• PSA: 147.66000
• Density: 1.27 g/cm³
• LogP: 4.68826
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 406.13895308
• Heavy Atom Count: 30
• Complexity: 710

Purity/Quality:

98%Min ^*data from raw suppliers

DISPERSE RED 72 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzonitrile, 2-[[4-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]azo]-5-nitro-

There total 2 articles about Benzonitrile, 2-[[4-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]azo]-5-nitro- 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:

5-nitroanthranilonitrile (17420-30-3) + N-β-acetoxyethyl-N-β-cyanoethylaniline (22031-33-0) → 2-({4-[(2-cyano-3-nitrophenyl)azo]phenyl}(2-cyanoethyl)amino)ethyl acetate (12223-39-1)

Guidance literature:

5-nitroanthranilonitrile; With hydrogenchloride; sodium nitrite; In water; at 2 ℃; for 1h;

N-β-acetoxyethyl-N-β-cyanoethylaniline; In ethanol; water; at 5 - 12 ℃; for 7.8h;

Reference yield:

→ 2-({4-[(2-cyano-3-nitrophenyl)azo]phenyl}(2-cyanoethyl)amino)ethyl acetate (12223-39-1)

Guidance literature:

entspr. Alkohol, Ac2O;

upstream raw materials:

5-nitroanthranilonitrile

N-β-acetoxyethyl-N-β-cyanoethylaniline

Refernces