6-Nitrocinnolin-4-ol

Base Information

• Chemical Name: 6-Nitrocinnolin-4-ol
• CAS No.: 7387-19-1
• Molecular Formula: C8H5N3O3
• Molecular Weight: 191.146
• Hs Code.: 2933990090
• European Community (EC) Number: 669-055-1
• DSSTox Substance ID: DTXSID80575802
• Wikidata: Q82465221
• Mol file: 7387-19-1.mol

Synonyms:6-Nitrocinnolin-4-ol;7387-19-1;6-Nitrocinnolin-4(1H)-one;6-nitro-1H-cinnolin-4-one;86222-55-1;6-NITRO-4-CINNOLINOL;SCHEMBL4903280;SCHEMBL11148653;DTXSID80575802;6-nitro-1,4-dihydrocinnolin-4-one;AKOS016002430;CS-0455400;EN300-681462;A909856

Chemical Property of 6-Nitrocinnolin-4-ol

Chemical Property:

• PSA: 91.83000
• LogP: 1.76680
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 191.03309103
• Heavy Atom Count: 14
• Complexity: 297

Purity/Quality:

97% ^*data from raw suppliers

6-NITRO-4-CINNOLINOL AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C=NN2

Technology Process of 6-Nitrocinnolin-4-ol

There total 1 articles about 6-Nitrocinnolin-4-ol 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-hydroxy-6-nitrocinnoline (7387-19-1)

Guidance literature:

4-Nitrophenylessigsaeure (II 1), PPA;

Reference yield: 35.0%

sodium phenoxide (139-02-6) + 4-hydroxy-6-nitrocinnoline (7387-19-1) → 6-nitro-4-phenoxy-cinnoline (658710-30-6)

Guidance literature:

4-hydroxy-6-nitrocinnoline; With thionyl chloride; phosphorus pentachloride; In 1,2-dichloro-benzene; for 3h; Heating / reflux;

sodium phenoxide; In dichloromethane; benzene; at 95 ℃; for 1h;

Reference yield:

4-hydroxy-6-nitrocinnoline (7387-19-1) → 4-chloro-6-nitrocinnoline (68211-17-6)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

Downstream raw materials:

6-nitro-4-phenoxy-cinnoline

4-chloro-6-nitrocinnoline