3-Chloro-6-nitro-1H-indazole

Base Information

• Chemical Name: 3-Chloro-6-nitro-1H-indazole
• CAS No.: 50593-68-5
• Molecular Formula: C7H4ClN3O2
• Molecular Weight: 197.581
• Hs Code.: 29339900
• European Community (EC) Number: 256-631-9
• NSC Number: 84179
• DSSTox Substance ID: DTXSID40198632
• Nikkaji Number: J261.543F
• Wikidata: Q83071450
• ChEMBL ID: CHEMBL596229
• Mol file: 50593-68-5.mol

Synonyms:3-Chloro-6-nitro-1H-indazole;50593-68-5;3-Chloro-6-nitroindazole;1H-Indazole, 3-chloro-6-nitro-;3-chloro-6-nitro-2H-indazole;3-Chloro-6-Nitro(1H)Indazole;EINECS 256-631-9;NSC 84179;BRN 0013651;CHEMBL596229;MFCD00010741;4-23-00-01068 (Beilstein Handbook Reference);NSC84179;SCHEMBL2926701;WLN: T56 BMNJ DG HNW;DTXSID40198632;BDBM50304145;NSC-84179;AKOS005072678;FA-0802;PB24540;3-CHLORO-6-NITRO (1H)INDAZOLE;LS-81487;SY020996;A7499;FT-0639913;EN300-7366619;J-512302

Chemical Property of 3-Chloro-6-nitro-1H-indazole

Chemical Property:

• Vapor Pressure: 0.0522mmHg at 25°C
• Melting Point: 203-205 °C
• Refractive Index: 1.742
• Boiling Point: 234.7 °C at 760 mmHg
• Flash Point: 95.7 °C
• PSA: 74.50000
• Density: 1.661 g/cm³
• LogP: 2.64770
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 196.9992041
• Heavy Atom Count: 13
• Complexity: 220

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Chloro-6-nitro-1H-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(NN=C2C=C1[N+](=O)[O-])Cl

Technology Process of 3-Chloro-6-nitro-1H-indazole

There total 6 articles about 3-Chloro-6-nitro-1H-indazole 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: 92.0%

6-nitroindazole (7597-18-4) → 3-chloro-6-nitro-1H-indazole (50593-68-5)

Guidance literature:

6-nitroindazole; With sodium hydroxide; In water; at 0 ℃; for 0.25h; Heating;

With sodium hypochlorite; In water; at 0 ℃; for 5h;

With hydrogenchloride; In water; pH=7;

Reference yield: 92.0%

5-nitroindazole (5401-94-5) → 3-chloro-6-nitro-1H-indazole (50593-68-5)

Guidance literature:

5-nitroindazole; With sodium hydroxide; In water; Heating / reflux;

With sodium hypochlorite; In water; at 0 ℃; for 5.25h; pH=7;

With hydrogenchloride; In water;

Reference yield: 89.0%

N-chlorophthalimide (3481-09-2) + 6-nitroindazole (7597-18-4) → 3-chloro-6-nitro-1H-indazole (50593-68-5)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water;

upstream raw materials:

6-nitro-1,2-dihydro-3H-indazol-3-one

6-nitroindazole

3-chloro-1-methyl-6-nitro-1H-indazole

5-nitroindazole

Downstream raw materials:

3-chloro-6-amino-1H-indazole

3-chloro-2-methyl-6-nitro-2H-indazole

3-chloro-1-methyl-6-nitro-1H-indazole

3-chloro-6-nitro-1-(2-pyrrolidin-1-yl-ethyl)-1H-indazole

Refernces

• 1、 -. "Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor". Page/Page column 49. . Retrieved 2010/02/15.
• 2、 -. "Lactam inhibitors of factor Xa and method". . . Retrieved 2008/06/13.