3-Iodo-1H-indazole

Base Information

• Chemical Name: 3-Iodo-1H-indazole
• CAS No.: 66607-27-0
• Molecular Formula: C7H5IN2
• Molecular Weight: 244.035
• Hs Code.: 29339900
• DSSTox Substance ID: DTXSID80448128
• Nikkaji Number: J1.103.660K
• Wikidata: Q72483693
• Mol file: 66607-27-0.mol

Synonyms:3-Iodo-1H-indazole;66607-27-0;3-Iodoindazole;3-iodo-2H-indazole;1H-Indazole, 3-iodo-;MFCD04972469;iodoindazole;iodo-indazole;3-iodo indazole;3-Iodo-1H-benzopyrazole;SCHEMBL516645;SCHEMBL17692468;UDKYMMQGPNFWDA-UHFFFAOYSA-;DTXSID80448128;UDKYMMQGPNFWDA-UHFFFAOYSA-N;AKOS003670257;CS-W003212;DS-0403;PB34085;AC-12962;AM807653;SY031006;A8970;FT-0604110;EN300-99418;J-512667;InChI=1/C7H5IN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)

Chemical Property of 3-Iodo-1H-indazole

Chemical Property:

• Vapor Pressure: 0.231mmHg at 25°C
• Melting Point: 142 °C(Solv: water (7732-18-5))
• Refractive Index: 1.788
• Boiling Point: 206.934 °C at 760 mmHg
• PKA: 12.04±0.40(Predicted)
• Flash Point: 78.951 °C
• PSA: 28.68000
• Density: 2.083 g/cm³
• LogP: 2.16750
• Storage Temp.: Room temperature.
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 243.94975
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

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

3-Iodo-1H-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(NN=C2C=C1)I

Technology Process of 3-Iodo-1H-indazole

There total 1 articles about 3-Iodo-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: 83.0%

3-iodo-1-tosyl-1H-indazole → N-(2-Cyanophenyl)-4-methylbenzenesulfonamide (31659-28-6) + 3-iodoindazole (66607-27-0)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 120 ℃; for 18h; Solvent;

DOI:10.1080/00397911.2021.1939053

Reference yield: 96.0%

2-fluorothiophenol (2557-78-0) + 3-iodoindazole (66607-27-0) → 3-[(2-fluorophenyl)sulphanyl]-1H-indazole (1234572-76-9)

Guidance literature:

With potassium carbonate; copper(l) iodide; In ethylene glycol; isopropyl alcohol; at 130 ℃; for 20h;

Reference yield: 95.0%

3-iodoindazole (66607-27-0) + 4-methoxy-phenyl-sulphonyl chloride (98-68-0) → 3-iodo-1-[(4-methoxylphenyl)sulfonyl]-1H-indazole

Guidance literature:

With potassium hydroxide; In acetonitrile; at 20 ℃; for 8h;

DOI:10.1080/00397911.2021.1939053

Downstream raw materials:

3-iodo-2-methyl-2H-indazole

3-iodo-1-methyl-1H-indazole

3-(furan-2-yl)-1H-indazole

N-benzyl-3-iodo-1H-indazole

Refernces