Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonic acid

Base Information

• Chemical Name: Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonic acid
• CAS No.: 84-23-1
• Molecular Formula: C10H6N2O4S
• Molecular Weight: 250.235
• European Community (EC) Number: 201-523-9
• NSC Number: 65884
• UNII: EPT2YRZ9MH
• DSSTox Substance ID: DTXSID8058902
• Nikkaji Number: J192.613F
• Wikidata: Q81988586
• ChEMBL ID: CHEMBL1730299
• Mol file: 84-23-1.mol

Synonyms:84-23-1;Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonic acid;benzo[e][1,2,3]benzoxadiazole-5-sulfonic acid;EPT2YRZ9MH;NSC65884;Naphth[1,2-d][1,2,3]oxadiazole-5-sulphonic acid;Naphtho[1,2-d][1,2,3]oxadiazole-5-sulfonic acid;MLS002693525;EINECS 201-523-9;Naphth(1,2-d)(1,2,3)oxadiazole-5-sulfonic acid;NSC 65884;NSC-65884;Naphth(1,2-d)(1,2,3)oxadiazole-5-sulphonic acid;UNII-EPT2YRZ9MH;SCHEMBL6151305;CHEMBL1730299;DTXSID8058902;HMS3085J24;MFCD00128259;STK372004;AKOS005446539;SMR001559475;Naphth[1,2,3]oxadiazole-5-sulfonic acid;Benzo[e][1,2,3]benzoxadiazole-5-sulphonic acid;W-109303;{Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonic} acid

Chemical Property of Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonic acid

Chemical Property:

• Refractive Index: 1.738
• PSA: 101.67000
• Density: 1.671 g/cm³
• LogP: 2.70350
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 250.00482785
• Heavy Atom Count: 17
• Complexity: 394

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC3=C2N=NO3)S(=O)(=O)O

Technology Process of Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonic acid

There total 4 articles about Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonic 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-amino-2-naphthol (2834-92-6) → 1,2-diazooxy-4-naphthalenesulfonic acid (84-23-1)

Guidance literature:

With nitrosylsulfuric acid; at 0 - 40 ℃; for 0.0833333h; Temperature;

Reference yield:

β-naphthol (135-19-3) → 1,2-diazooxy-4-naphthalenesulfonic acid (84-23-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium nitrite / water / 0.67 h / 20 °C

1.2: 0.5 h / 0 °C

2.1: hydrogen / water / 1 h / 20 - 50 °C

3.1: nitrosylsulfuric acid / 0.08 h / 0 - 40 °C

With nitrosylsulfuric acid; hydrogen; sodium nitrite; In water;

Reference yield:

1-nitro-2-naphthol (550-60-7) → 1,2-diazooxy-4-naphthalenesulfonic acid (84-23-1)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen / water / 1 h / 20 - 50 °C

2: nitrosylsulfuric acid / 0.08 h / 0 - 40 °C

With nitrosylsulfuric acid; hydrogen; In water;

upstream raw materials:

1-amino-2-naphthol-4-sulfonic acid

β-naphthol

1-nitro-2-naphthol

1-amino-2-naphthol

Refernces