2H-Naphth[1,8-cd]isothiazole-3,5-disulfonic acid, 1,1-dioxide

Base Information

• Chemical Name: 2H-Naphth[1,8-cd]isothiazole-3,5-disulfonic acid, 1,1-dioxide
• CAS No.: 82-65-5
• Molecular Formula: C10H7 N O8 S3
• Molecular Weight: 365.365
• Hs Code.: 2934991000
• European Community (EC) Number: 201-432-4
• UNII: MVK7P55AUB
• DSSTox Substance ID: DTXSID8058879
• Nikkaji Number: J192.603I,J39.164F
• Wikidata: Q81988572
• Mol file: 82-65-5.mol

Synonyms:82-65-5;2H-Naphth[1,8-cd]isothiazole-3,5-disulfonic acid, 1,1-dioxide;MVK7P55AUB;EINECS 201-432-4;2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-5,7-disulfonic acid;2H-Naphth[1,8-cd]isothiazole-3,5-disulfonicacid, 1,1-dioxide;2H-Naphth(1,8-cd)isothiazole-3,5-disulfonic acid, 1,1-dioxide;2H-Naphth(1,8-cd)isothiazole-3,5-disulphonic acid 1,1-dioxide;2H-naphth[1,8-cd]isothiazole-3,5-disulphonic acid 1,1-dioxide;2H-NAPHTH[1,8-CD]ISOTHIAZOLE-3,5-DISULFONIC ACID 1,1-DIOXIDE;UNII-MVK7P55AUB;C10H7NO8S3;DTXSID8058879;C10-H7-N-O8-S3;4,5-(Iminosulfonyl)-1,3-naphthalenedisulfonic acid;2H-Naphth(1,8-cd)isothiazole-3,5-disulphonic acid, 1,1-dioxide

Chemical Property of 2H-Naphth[1,8-cd]isothiazole-3,5-disulfonic acid, 1,1-dioxide

Chemical Property:

• PKA: -0.86±0.20(Predicted)
• PSA: 180.05000
• Density: 1.995g/cm³
• LogP: 3.82780
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 364.93337970
• Heavy Atom Count: 22
• Complexity: 770

Purity/Quality:

2H-Naphth[1,8-cd]isothiazole-3,5-disulfonicacid,1,1-dioxide tech. ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)S(=O)(=O)NC3=C(C=C2S(=O)(=O)O)S(=O)(=O)O

Technology Process of 2H-Naphth[1,8-cd]isothiazole-3,5-disulfonic acid, 1,1-dioxide

There total 2 articles about 2H-Naphth[1,8-cd]isothiazole-3,5-disulfonic acid, 1,1-dioxide 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:

4-aminonaphthalene-1,5-disulfonic acid (117-55-5) → 1,1-dioxo-2H-1λ6-naphth[1,8-cd]isothiazole-3,5-disulfonic acid (82-65-5)

Guidance literature:

With sulfuric acid;

Reference yield:

8-anilino-1-naphthalenesulfonate (82-75-7) → 1,1-dioxo-2H-1λ6-naphth[1,8-cd]isothiazole-3,5-disulfonic acid (82-65-5)

Guidance literature:

With chlorosulfonic acid;

Reference yield:

water (7732-18-5) + 1,1-dioxo-2H-1λ6-naphth[1,8-cd]isothiazole-3,5-disulfonic acid (82-65-5) → Chicago acid (82-47-3)

Guidance literature:

beim Schmelzen;

upstream raw materials:

4-aminonaphthalene-1,5-disulfonic acid

8-anilino-1-naphthalenesulfonate

Downstream raw materials:

Chicago acid

8-anilino-1-naphthalenesulfonate