4-Hydroxy-7-[(3-nitrobenzoyl)amino]-2-naphthalenesulfonic acid

Base Information

• Chemical Name: 4-Hydroxy-7-[(3-nitrobenzoyl)amino]-2-naphthalenesulfonic acid
• CAS No.: 68214-00-6
• Molecular Formula: C17H12N2O7S
• Molecular Weight: 388.357
• European Community (EC) Number: 269-280-1
• DSSTox Substance ID: DTXSID0071251
• Nikkaji Number: J317.413A
• Wikidata: Q81998832
• Mol file: 68214-00-6.mol

Synonyms:3-Aminobenzoyl J;68214-00-6;4-Hydroxy-7-[(3-nitrobenzoyl)amino]-2-naphthalenesulfonic acid;EINECS 269-280-1;4-Hydroxy-7-(3-nitrobenzamido)naphthalene-2-sulfonic acid;4-Hydroxy-7-((3-nitrobenzoyl)amino)-2-naphthalenesulfonic acid;2-Naphthalenesulfonic acid, 4-hydroxy-7-((3-nitrobenzoyl)amino)-;2-Naphthalenesulfonic acid, 4-hydroxy-7-[(3-nitrobenzoyl)amino]-;4-Hydroxy-7-((3-nitrobenzoyl)amino)naphthalene-2-sulphonic acid;4-HYDROXY-7-[(3-NITROBENZOYL)AMINO]NAPHTHALENE-2-SULPHONIC ACID;4-hydroxy-7-[(3-nitrobenzoyl)amino]naphthalene-2-sulfonic acid;DTXSID0071251;SCHEMBL11423959

Chemical Property of 4-Hydroxy-7-[(3-nitrobenzoyl)amino]-2-naphthalenesulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 157.90000
• Density: 1.649g/cm³
• LogP: 4.62960
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 388.03652190
• Heavy Atom Count: 27
• Complexity: 672

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O

Technology Process of 4-Hydroxy-7-[(3-nitrobenzoyl)amino]-2-naphthalenesulfonic acid

There total 1 articles about 4-Hydroxy-7-[(3-nitrobenzoyl)amino]-2-naphthalenesulfonic 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:

m-nitrobenzoic acid chloride (121-90-4) → 4-hydroxy-7-(3-nitro-benzoylamino)-naphthalene-2-sulfonic acid (68214-00-6)

Guidance literature:

With water; sodium acetate;

Reference yield:

4-hydroxy-7-(3-nitro-benzoylamino)-naphthalene-2-sulfonic acid (68214-00-6) → 7-(3-amino-benzoylamino)-4-hydroxy-naphthalene-2-sulfonic acid (118-50-3)

Guidance literature:

With iron; acetic acid;

Reference yield:

4-hydroxy-7-(3-nitro-benzoylamino)-naphthalene-2-sulfonic acid (68214-00-6) + acetic acid (64-19-7,77671-22-8) → 7-(3-amino-benzoylamino)-4-hydroxy-naphthalene-2-sulfonic acid (118-50-3)

Guidance literature:

upstream raw materials:

m-nitrobenzoic acid chloride

Downstream raw materials:

7-(3-amino-benzoylamino)-4-hydroxy-naphthalene-2-sulfonic acid

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