Propanenitrile, 3,3'-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bis-

Base Information

• Chemical Name: Propanenitrile, 3,3'-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bis-
• CAS No.: 4058-30-4
• Deprecated CAS: 12223-26-6
• Molecular Formula: C₁₈H₁₅ClN₆O₂
• Molecular Weight: 382.809
• Hs Code.: 3204110000
• European Community (EC) Number: 223-765-4,602-307-0
• DSSTox Substance ID: DTXSID5063281
• Nikkaji Number: J185.946C
• Mol file: 4058-30-4.mol

Synonyms:Disperse Orange 44;4058-30-4;12223-26-6;Propanenitrile, 3,3'-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bis-;EINECS 223-765-4;3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]propanenitrile;3,3'-((4-((2-Chloro-4-nitrophenyl)azo)phenyl)imino)bispropanenitrile;3,3'-[[4-[(2-Chloro-4-nitrophenyl)azo]phenyl]imino]bis[propiononitrile];C18H15ClN6O2;4-((2-Chloro-4-nitrophenyl)azo)-N,N-biscyanoethylaniline;3,3'-((p-((2-Chloro-4-nitrophenyl)azo)phenylimino)bispropionitrile;3,3'-((4-((2-Chloro-4-nitrophenyl)azo)phenyl)imino)bis(propiononitrile);Propanenitrile, 3,3'-((4-((2-chloro-4-nitrophenyl)azo)phenyl)imino)bis-;Propanenitrile, 3,3'-((4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)imino)bis-;DisperseOrange44;C.I.Disperse Orange 44;C.I. Disperse Orange 44;DTXSID5063281;SCHEMBL13474905;SCHEMBL18179609;C18-H15-Cl-N6-O2;Propanenitrile, 3,3'-[[4-[(2-chloro-4-nitrophenyl) azo]phenyl]imino]bis-;W-109941;3,3-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bis[propiononitrile];Propanonitrilo, 3,3'-[[4-[2-(2-cloro-4-nitrofenil)diazenil]fenil]imino]bis-

Chemical Property of Propanenitrile, 3,3'-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bis-

Chemical Property:

• Appearance/Colour: Orange-red powder
• Vapor Pressure: 0Pa at 25℃
• Boiling Point: 663.8 °C at 760 mmHg
• Flash Point: 355.3 °C
• PSA: 121.36000
• Density: 1.30 g/cm³
• LogP: 5.82056
• Water Solubility.: 20mg/L at 20℃
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 382.0945014
• Heavy Atom Count: 27
• Complexity: 590

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N(CCC#N)CCC#N

Technology Process of Propanenitrile, 3,3'-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bis-

There total 4 articles about Propanenitrile, 3,3'-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bis- 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: 98.9%

N,N-bis(2-cyanoethyl)aniline (1555-66-4) + C6H3ClN3O2(1+)*C10H7O6S2(1-) (62796-25-2) → 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino] propanenitrile (12223-26-6,4058-30-4)

Guidance literature:

N,N-bis(2-cyanoethyl)aniline; With sodium methylenebismethylnaphthalenesulfonate; 2mm quartz sand; In water; for 5h;

C₆H₃ClN₃O₂⁽¹⁺⁾*C₁₀H₇O₆S₂^(1-); In water; at 20 - 35 ℃; for 3.5h;

Reference yield:

N,N-bis(2-cyanoethyl)aniline (1555-66-4) + 2-Chloro-4-nitroaniline (121-87-9) → 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino] propanenitrile (12223-26-6,4058-30-4)

Guidance literature:

2-Chloro-4-nitroaniline; With naphthalene-1,5-disulfonate; In ethyl acetate; at 50 ℃; for 0.166667h;

With tert.-butylnitrite; In ethyl acetate; at 25 ℃; for 0.333333h;

N,N-bis(2-cyanoethyl)aniline; With hydrogenchloride; In water; at 0 - 5 ℃; for 0.666667h;

DOI:10.1016/j.dyepig.2016.08.026

Reference yield:

4-nitro-2,6-dichloroaniline (99-30-9) + N,N-bis(2-cyanoethyl)aniline (1555-66-4) → 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino] propanenitrile (12223-26-6,4058-30-4)

Guidance literature:

4-nitro-2,6-dichloroaniline; With nitrosylsulfuric acid; sulfuric acid; at 20 ℃; for 5h;

N,N-bis(2-cyanoethyl)aniline; With iron(III) chloride; sodium hypobromide; urea; for 1h;

upstream raw materials:

N,N-bis(2-cyanoethyl)aniline

2-Chloro-4-nitroaniline

C₆H₃ClN₃O₂⁽¹⁺⁾*C₁₀H₇O₆S₂^(1-)

4-nitro-2,6-dichloroaniline

Refernces

• 1、 Qiu, Jinjing,Tang, Bingtao,Ju, Benzhi,Xu, Yuanji,Zhang, Shufen. "Stable diazonium salts of weakly basic amines—Convenient reagents for synthesis of disperse azo dyes". . p. 63 - 69. Retrieved 2016/08/24.
• 2、 -. "Clean preparation method for weakly alkaline arylamine azo disperse dye". Paragraph 0052; 0053; 0054. . Retrieved 2017/01/02.