5-Amino-4-methoxy-2-nitrobenzenesulphonic acid

Base Information

• Chemical Name: 5-Amino-4-methoxy-2-nitrobenzenesulphonic acid
• CAS No.: 6375-05-9
• Molecular Formula: C7H8 N2 O6 S
• Molecular Weight: 248.216
• Hs Code.: 2922199090
• European Community (EC) Number: 228-930-4
• NSC Number: 638698,605764
• DSSTox Substance ID: DTXSID10213184
• Nikkaji Number: J168.472H
• Wikidata: Q83088469
• ChEMBL ID: CHEMBL2005717
• Mol file: 6375-05-9.mol

Synonyms:5-amino-4-methoxy-2-nitrobenzenesulfonic acid;6375-05-9;5-Amino-4-methoxy-2-nitrobenzenesulphonic acid;NSC605764;NSC638698;2-Nitro-4-methoxy-5-aminobenzenesulfonic acid;SCHEMBL343409;CHEMBL2005717;DTXSID10213184;EINECS 228-930-4;BBL019901;MFCD00035908;STL196699;AKOS016035906;NSC-605764;NSC-638698;NCI60_004646;VS-07024;3-Amino-4-methoxy-6-nitrobenzenesulfonic acid;5-amino-4-methoxy-2-nitro-benzenesulfonic acid;5-amino-4-methoxy-2-nitrobenzene-1-sulfonic acid;5-Amino-2-(hydroxy(oxido)amino)-4-methoxybenzenesulfonic acid

Chemical Property of 5-Amino-4-methoxy-2-nitrobenzenesulphonic acid

Chemical Property:

• PSA: 143.82000
• Density: 1.651g/cm³
• LogP: 2.61750
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 248.01030715
• Heavy Atom Count: 16
• Complexity: 358

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1N)S(=O)(=O)O)[N+](=O)[O-]

Technology Process of 5-Amino-4-methoxy-2-nitrobenzenesulphonic acid

There total 2 articles about 5-Amino-4-methoxy-2-nitrobenzenesulphonic 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: 64.0%

3-(N-p-toluenesulfonamido)-4-methoxy-6-nitrobenzensulfonic acid sodium salt (121451-94-3) → 1-amino-2-methoxy-4-nitrobenzene-5-sulphonic acid (6375-05-9)

Guidance literature:

With hydrogenchloride; for 3h; Heating;

Reference yield:

→ 1-amino-2-methoxy-4-nitrobenzene-5-sulphonic acid (6375-05-9)

Guidance literature:

Reference yield:

5-aminonaphthalene-2-sulfonic acid (119-79-9) + 1-amino-2-methoxy-4-nitrobenzene-5-sulphonic acid (6375-05-9) → 5-amino-8-((4-amino-2-methoxy-5-sulfophenyl)diazenyl)naphthalene-2-sulfonic acid (1378293-96-9)

Guidance literature:

1-amino-2-methoxy-4-nitrobenzene-5-sulphonic acid; With hydrogenchloride; sodium nitrite; In water; at -10 - 50 ℃; for 2.5h; pH=0.7 - 7.1;

5-aminonaphthalene-2-sulfonic acid; With sodium carbonate; sodium hydroxide; In water; at 20 ℃; for 1.5h; pH=6 - 7.9;

upstream raw materials:

3-(N-p-toluenesulfonamido)-4-methoxy-6-nitrobenzensulfonic acid sodium salt

Downstream raw materials:

3-diazo-4-methoxy-6-nitrobenzensulfonic acid

5-amino-8-((4-amino-2-methoxy-5-sulfophenyl)diazenyl)naphthalene-2-sulfonic acid

C₁₁H₁₁N₅O₇S

C₁₁H₉N₅O₉S

Refernces

• 1、 -. "Bisazo brown reactive dye". . . Retrieved 2008/06/13.
• 2、 -. "Unsymmetrical 1:2-chromium complexes containing an azo compound and an azomethine compound". . . Retrieved 2008/06/13.