5-Fluoro-1H-indazole

Base Information

• Chemical Name: 5-Fluoro-1H-indazole
• CAS No.: 348-26-5
• Molecular Formula: C7H5FN2
• Molecular Weight: 136.129
• Hs Code.: 2933990090
• European Community (EC) Number: 636-895-5
• ChEMBL ID: CHEMBL16076
• DSSTox Substance ID: DTXSID50591231
• Nikkaji Number: J1.536.247B
• Wikidata: Q72480122
• Mol file: 348-26-5.mol

Synonyms:5-Fluoro-1H-indazole;348-26-5;5-Fluoro-2H-indazole;1173999-43-3;5-Fluoroindazole;MFCD04972877;CHEMBL16076;SCHEMBL3497213;5-Fluoro-1H-indazole, 97%;SCHEMBL16523329;DTXSID50591231;LIWIWTHSKJBYDW-UHFFFAOYSA-N;BCP00024;BBL101517;BDBM50099405;MFCD20502629;STL555313;AKOS005259015;AC-4445;CS-W009120;PB29333;PS-9107;SY003897;DB-139770;A6111;AM20040241;EN300-174758;O11433;A822422;A925682;J-019774;J-517490

Chemical Property of 5-Fluoro-1H-indazole

Chemical Property:

• Vapor Pressure: 0.009mmHg at 25°C
• Melting Point: 119-125°C
• Refractive Index: 1.659
• Boiling Point: 274.9 °C at 760 mmHg
• PKA: 12.90±0.40(Predicted)
• Flash Point: 120.1 °C
• PSA: 28.68000
• Density: 1.37 g/cm³
• LogP: 1.70200
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 136.04367633
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

97% ^*data from raw suppliers

5-Fluoro-1H-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C(C=C1F)C=NN2

Technology Process of 5-Fluoro-1H-indazole

There total 13 articles about 5-Fluoro-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: 100.0%

1-Acetyl-5-fluorindazol (141071-11-6) → 5-fluoro-1H-indazole (348-26-5)

Guidance literature:

With hydrogenchloride; In methanol; at 50 ℃; for 2h;

Reference yield: 92.0%

5-fluoro-1-tosyl-1H-indazole → 5-fluoro-1H-indazole (348-26-5)

Guidance literature:

With magnesium; In methanol; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1002/adsc.201500953

Reference yield: 82.0%

5-fluoro-1-(phenylsulfonyl)-1H-indazole → 5-fluoro-1H-indazole (348-26-5)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; Cu(dq)((rac)-2,2′-bis(diphenylphosphino)-1,1′-binaphthalene)BF₄; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃; for 24h; Inert atmosphere; Irradiation;

DOI:10.1021/acs.joc.0c00983

upstream raw materials:

N-(4-fluoro-2-methylphenyl)acetamide

4-fluor-2-methylaniline

2',5'-difluoroacetophenone

1-Acetyl-5-fluorindazol

Downstream raw materials:

1-Acetyl-5-fluorindazol

5-fluoro-3-iodo-1H-indazole

methyl 5-fluoro-1H-indazole-3-carboxylate

5-fluoro-1-methyl-3,7-diphenyl-1H-indazole