Doxantrazole

Base Information

• Chemical Name: Doxantrazole
• CAS No.: 51762-95-9
• Molecular Formula: C14H8 N4 O3 S
• Molecular Weight: 312.309
• Hs Code.: 2934999090
• European Community (EC) Number: 257-397-0
• NSC Number: 311586
• UNII: U5Q9UW0HCH
• DSSTox Substance ID: DTXSID70199692
• Nikkaji Number: J21.366G
• Wikidata: Q27290721
• ChEMBL ID: CHEMBL22336
• Mol file: 51762-95-9.mol

Synonyms:3-(5-tetrazolyl)thioxanthone-10,10-dioxide;BW 59C;doxantrazole

Chemical Property of Doxantrazole

Chemical Property:

• Vapor Pressure: 1.31E-17mmHg at 25°C
• Refractive Index: 1.707
• Boiling Point: 666.1oC at 760 mmHg
• Flash Point: 356.7oC
• PSA: 114.05000
• Density: 1.623g/cm3
• LogP: 2.32470
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 312.03171130
• Heavy Atom Count: 22
• Complexity: 561

Purity/Quality:

99% ^*data from raw suppliers

DOXANTRAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C4=NNN=N4

Technology Process of Doxantrazole

There total 3 articles about Doxantrazole 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:

3-(1(2)H-tetrazol-5-yl)-thioxanthen-9-one (51762-91-5) → doxantrazole (51762-95-9)

Guidance literature:

With dihydrogen peroxide; In acetic acid;

Reference yield:

2-benzenesulfonyl-4-(1(2)H-tetrazol-5-yl)-benzoic acid (51762-87-9) + sulfuric acid (7664-93-9) → doxantrazole (51762-95-9)

Guidance literature:

Reference yield:

→ doxantrazole (51762-95-9)

Guidance literature:

upstream raw materials:

2-benzenesulfonyl-4-(1⁽²⁾H-tetrazol-5-yl)-benzoic acid

sulfuric acid

3-(1⁽²⁾H-tetrazol-5-yl)-thioxanthen-9-one

Downstream raw materials:

N-(9,10,10-Trioxo-9,10-dihydro-10λ⁶-thioxanthen-3-yl)-acetamide

Refernces

• 1、 -. "Cyclic sulphur compounds". . . Retrieved 2008/06/13.