7-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulphophenyl)azo)naphthalene-2-sulphonic acid

Base Information

• Chemical Name: 7-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulphophenyl)azo)naphthalene-2-sulphonic acid
• CAS No.: 25254-23-3
• Molecular Formula: C₂₀H₁₄Cl₂N₆O₈S₂
• Molecular Weight: 601.405
• European Community (EC) Number: 246-763-5
• DSSTox Substance ID: DTXSID90865226,DTXSID901105408
• Nikkaji Number: J236.106J
• Mol file: 25254-23-3.mol

Synonyms:25254-23-3;EINECS 246-763-5;7-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulphophenyl)azo)naphthalene-2-sulphonic acid;2-Naphthalenesulfonic acid, 7-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulfophenyl)azo)-;2-Naphthalenesulfonic acid, 7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-;7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methoxy-2-sulphophenyl)azo]naphthalene-2-sulphonic acid;C20H14Cl2N6O8S2;SCHEMBL3697527;DTXSID90865226;DTXSID901105408;C20-H14-Cl2-N6-O8-S2;7-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-3-[2-(4-methoxy-2-sulfophenyl)hydrazinylidene]-4-oxo-3,4-dihydronaphthalene-2-sulfonic acid;7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-2-naphthalenesulfonic acid;7-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[2-(4-methoxy-2-sulfophenyl)diazenyl]-2-naphthalenesulfonic acid

Chemical Property of 7-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulphophenyl)azo)naphthalene-2-sulphonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.85g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 599.9691592
• Heavy Atom Count: 38
• Complexity: 1050

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC4=NC(=NC(=N4)Cl)Cl)S(=O)(=O)O)S(=O)(=O)O

Technology Process of 7-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulphophenyl)azo)naphthalene-2-sulphonic acid

There total 3 articles about 7-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulphophenyl)azo)naphthalene-2-sulphonic acid 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:

1,3,5-trichloro-2,4,6-triazine (108-77-0) + Gamma Acid (16452-06-5) → C20H14Cl2N6O8S2 (25254-23-3)

Guidance literature:

In water; at 0 - 5 ℃; for 2h; pH=5 - 6;

Reference yield:

2-amino-5-methoxybenzenesulfonic acid (13244-33-2) → C20H14Cl2N6O8S2 (25254-23-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogenchloride; sodium nitrite / water / 0 - 5 °C / pH < 3

1.2: 2 h / 0 - 5 °C / pH 5 - 6

2.1: water / 2 h / 0 - 5 °C / pH 5 - 6

With hydrogenchloride; sodium nitrite; In water;

Reference yield:

6-amino-4-hydroxy-2-naphthalenesulfonic acid (90-51-7) → C20H14Cl2N6O8S2 (25254-23-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogenchloride; sodium nitrite / water / 0 - 5 °C / pH < 3

1.2: 2 h / 0 - 5 °C / pH 5 - 6

2.1: water / 2 h / 0 - 5 °C / pH 5 - 6

With hydrogenchloride; sodium nitrite; In water;

upstream raw materials:

2-amino-5-methoxybenzenesulfonic acid

1,3,5-trichloro-2,4,6-triazine

Gamma Acid

6-amino-4-hydroxy-2-naphthalenesulfonic acid

Refernces