Disperse Orange 37

Base Information

• Chemical Name: Disperse Orange 37
• CAS No.: 13301-61-6
• Deprecated CAS: 12223-33-5,51811-42-8,71819-66-4,88651-54-1,51811-42-8,71819-66-4,88651-54-1
• Molecular Formula: C17H15Cl2N5O2
• Molecular Weight: 392.244
• European Community (EC) Number: 236-325-1,602-312-8
• UNII: F0AEY2096I
• DSSTox Substance ID: DTXSID9044538
• Nikkaji Number: J213.820D
• Wikidata: Q27277470
• ChEMBL ID: CHEMBL3186380
• Mol file: 13301-61-6.mol

Synonyms:Disperse Orange 37;13301-61-6;Disperse Orange 76;C.I. Disperse Orange 37;Disperse Orange 37;3-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propanenitrile;12223-33-5;EINECS 236-325-1;CCRIS 9043;C.I. Disperse Orange 59;C.I. Disperse Orange 76;UNII-F0AEY2096I;3-[{4-[(e)-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]propanenitrile;C17H15Cl2N5O2;F0AEY2096I;DTXSID9044538;3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propanenitrile;3-(p-((2,6-Dichloro-4-nitrophenyl)azo)-N-ethylanilino)propionitrile;3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]propiononitrile;Propanenitrile, 3-((4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)ethylamino)-;Propanonitrile, 3-(ethyl(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)-;3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propiononitrile;Propanenitrile, 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]-;(E)-3-((4-((2,6-Dichloro-4-nitrophenyl)diazenyl)phenyl)(ethyl)amino)propanenitrile;Propanenitrile, 3-((4-(2-(2,6-dichloro-4-nitrophenyl)diazenyl)phenyl)ethylamino)-;1636140-04-9;Disperse Orange 59;3-[4-(2,6-Dichloro-4-nitrophenylazo)-N-ethylanilino]propionitrile;3-[4-[(E)-(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propanenitrile;starbld0000746;C.I.Disperse Orange 37;CHEMBL3186380;DTXCID7024538;SCHEMBL22974892;SCHEMBL23259594;Disperse Orange 37, for microscopy;Tox21_302225;C17-H15-Cl2-N5-O2;AKOS015903864;Propanenitrile, 3-[[4-[(2,6-dichloro-4-nitrophenyl) azo]phenyl]ethylamino]-;Disperse Orange 37, analytical standard;NCGC00255789-01;3-(2-methoxyphenyl)propyl methanesulfonate;CAS-13301-61-6;LS-164437;FT-0625333;Disperse Orange 37 100 microg/mL in Acetonitrile;W-110329;Q27277470;51811-42-8

Chemical Property of Disperse Orange 37

Chemical Property:

• Melting Point: 144-146 °C
• Boiling Point: 603.1 °C at 760 mmHg
• PKA: 2.12±0.50(Predicted)
• Flash Point: 318.6 °C
• PSA: 97.57000
• Density: 1.35 g/cm³
• LogP: 6.58018
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 391.0602801
• Heavy Atom Count: 26
• Complexity: 527

Purity/Quality:

98% ^*data from raw suppliers

Disperse Orange 37 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl
• Uses: Disperse Orange 76 is an orange azo dye used in plastics. Disperse Orange 37 is an orange azo dye used in plastics. Dyes and metabolites, Environmental Testing.

Technology Process of Disperse Orange 37

There total 2 articles about Disperse Orange 37 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: 98.0%

→ 2',6'-dichloro-4'-nitro-4-(N-β-cyanoethyl-N-ethyl)amino-1,1'-azobenzene (13301-61-6,12223-33-5,51811-42-8)

Guidance literature:

With sodium methylenebismethylnaphthalenesulfonate (MF); 2mm quartz sand; In water; for 2.5h;

In water; at 20 - 30 ℃; for 2.5h;

Reference yield:

4-nitro-2,6-dichloroaniline (99-30-9) + N-ethyl-N-(2-cyanoethyl)aniline (148-87-8) → 2',6'-dichloro-4'-nitro-4-(N-β-cyanoethyl-N-ethyl)amino-1,1'-azobenzene (13301-61-6,12223-33-5,51811-42-8)

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:

4-nitro-2,6-dichloroaniline

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

Refernces

• 1、 -. "Clean preparation method for weakly alkaline arylamine azo disperse dye". Paragraph 0047; 0048; 0049; 0050; 0051; 0057; 0058. . Retrieved 2017/01/02.