2-Chloro-3-(1h-indazol-6-ylamino)naphthalene-1,4-dione

Base Information

• Chemical Name: 2-Chloro-3-(1h-indazol-6-ylamino)naphthalene-1,4-dione
• CAS No.: 22295-47-2
• Molecular Formula: C₁₇H₁₀ClN₃O₂
• Molecular Weight: 323.738
• NSC Number: 102742
• DSSTox Substance ID: DTXSID40295534
• Nikkaji Number: J786.908H
• Wikidata: Q82035502
• ChEMBL ID: CHEMBL1519374
• Mol file: 22295-47-2.mol

Synonyms:MLS000737237;22295-47-2;SMR000528477;NSC-102742;2-((1H-Indazol-6-yl)amino)-3-chloronaphthalene-1,4-dione;2-chloro-3-(1h-indazol-6-ylamino)naphthalene-1,4-dione;NSC102742;cid_265940;CHEMBL1519374;BDBM50640;DTXSID40295534;HMS2853B11;SR-01000761005;SR-01000761005-2;2-chloro-3-(1H-indazol-6-ylamino)-1,4-naphthoquinone;2-chloranyl-3-(1H-indazol-6-ylamino)naphthalene-1,4-dione

Chemical Property of 2-Chloro-3-(1h-indazol-6-ylamino)naphthalene-1,4-dione

Chemical Property:

• Vapor Pressure: 2.59E-11mmHg at 25°C
• Boiling Point: 529.9°C at 760 mmHg
• Flash Point: 274.3°C
• Density: 1.55g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 323.0461543
• Heavy Atom Count: 23
• Complexity: 562

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC4=C(C=C3)C=NN4

Technology Process of 2-Chloro-3-(1h-indazol-6-ylamino)naphthalene-1,4-dione

There total 2 articles about 2-Chloro-3-(1h-indazol-6-ylamino)naphthalene-1,4-dione 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: 78.0%

2,3-Dichloro-1,4-naphthoquinone (117-80-6) + 6-amino-1H-indazole (6967-12-0) → 6-(2-chloro-1,4-naphthoquinon-3-yl)amino-1H-indazole (22295-47-2)

Guidance literature:

In ethanol; for 24h; Ambient temperature;

DOI:10.1055/s-1996-4417

Reference yield:

→ 6-(2-chloro-1,4-naphthoquinon-3-yl)amino-1H-indazole (22295-47-2)

Guidance literature:

2,3-Dichlor-1,4-naphthochinon, 6-Amino-indazol;

DOI:10.1021/jm00301a053

upstream raw materials:

2,3-Dichloro-1,4-naphthoquinone

6-amino-1H-indazole

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