7-chloro-1H-indazole

Base Information

• Chemical Name: 7-chloro-1H-indazole
• CAS No.: 37435-12-4
• Molecular Formula: C7H5ClN2
• Molecular Weight: 152.583
• Hs Code.: 2933990090
• European Community (EC) Number: 691-007-3
• DSSTox Substance ID: DTXSID80455690
• Nikkaji Number: J527.051K
• Wikidata: Q72452185
• ChEMBL ID: CHEMBL247367
• Mol file: 37435-12-4.mol

Synonyms:7-chloro-1H-indazole;37435-12-4;7-Chloroindazole;MFCD07368214;CHEMBL247367;7-chlor-1H-indazol;D0A6RU;SCHEMBL104360;SCHEMBL19152469;DTXSID80455690;WIYOYUQVNPTVQG-UHFFFAOYSA-N;7-Chloro-1H-indazole, AldrichCPR;BCP27378;BBL100367;BDBM50209244;STL554161;AKOS005072025;CB-0833;PB17411;AC-14821;BL000561;PD183094;SY064846;AM20040313;CS-0044712;FT-0648019;EN300-174788;J-519185

Chemical Property of 7-chloro-1H-indazole

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 135-137 °C
• Refractive Index: 1.703
• Boiling Point: 309.536 °C at 760 mmHg
• PKA: 11.93±0.40(Predicted)
• Flash Point: 169.922 °C
• PSA: 28.68000
• Density: 1.425 g/cm³
• LogP: 2.21630
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 152.0141259
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

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

7-Chloro-1H-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)Cl)NN=C2

Technology Process of 7-chloro-1H-indazole

There total 7 articles about 7-chloro-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: 98.0%

tert-butyl (6-chloro-2-methylphenyl)azo sulfide → 7-chloro-1H-indazole (37435-12-4)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; for 1.5h; Ambient temperature;

DOI:10.1016/S0040-4020(01)87030-7

Reference yield: 83.0%

2-fluoro-3-chlorobenzaldehyde (85070-48-0) → 7-chloro-1H-indazole (37435-12-4)

Guidance literature:

With hydrazine hydrate; potassium carbonate; In water; N,N-dimethyl-formamide; at 120 ℃; for 16h;

Reference yield: 80.0%

3-chlorosalicylaldehyde (1927-94-2) → 7-chloro-1H-indazole (37435-12-4)

Guidance literature:

With hydrazine hydrochloride; In ethanol; Heating;

DOI:10.1016/j.tetlet.2007.07.162

upstream raw materials:

1-acetyl-7-chloro-1H-indazole

2-fluoro-3-chlorobenzaldehyde

2-chloro-6-methylaniline

3-chlorosalicylaldehyde

Downstream raw materials:

7-chloro-3-(4-methoxyphenyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazole

4-(7-chloro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazol-3-yl)benzonitrile

7-chloro-3-iodo-1H-indazole

Refernces

• 1、 Du, Shijie,Li, Zhonghao,Tian, Zaimin,Xu, Lu. "Synthesis, antifungal activity and qsar of novel pyrazole amides as succinate dehydrogenase inhibitors". . p. 74 - 85. Retrieved 2018/01/26.
• 2、 Lokhande,Raheem, Abdul,Sabale,Chabukswar,Jagdale. "An efficient synthesis of 1-H indazoles". . p. 6890 - 6892. Retrieved 2008/02/12.