5-bromo-1H-indazol-3-amine

Base Information

• Chemical Name: 5-bromo-1H-indazol-3-amine
• CAS No.: 61272-71-7
• Molecular Formula: C7H6BrN3
• Molecular Weight: 212.049
• Hs Code.: 29339900
• European Community (EC) Number: 676-312-1
• DSSTox Substance ID: DTXSID30355873
• Wikidata: Q27455606
• ChEMBL ID: CHEMBL465091
• Mol file: 61272-71-7.mol

Synonyms:5-bromo-1H-indazol-3-amine;61272-71-7;3-Amino-5-bromo-1H-indazole;3-Amino-5-bromoindazole;5-bromo-1H-indazol-3-ylamine;5-Bromo-2H-indazol-3-amine;5-Bromo-2H-indazol-3-ylamine;1802375-90-1;1H-INDAZOL-3-AMINE, 5-BROMO-;MFCD03426696;CHEMBL465091;3-Amino-5-bromo-indazole;SCHEMBL786329;5-bromo-1H-indazole-3-amine;DTXSID30355873;3e62;OMPYFDJVSAMSMA-UHFFFAOYSA-N;BCP27502;CS-D0991;BBL104250;BDBM50254986;STK501613;AKOS005069353;AC-9113;PB20824;5-Bromo-1H-indazol-3-amine, AldrichCPR;SY007052;AM20040858;BB 0254193;FT-0679081;A15690;EN300-223999;F71435;AE-413/25046007;10Y-0709;J-516795;Q27455606;Z1203159770;5B1

Chemical Property of 5-bromo-1H-indazol-3-amine

Chemical Property:

• Vapor Pressure: 1.21E-07mmHg at 25°C
• Melting Point: 171-175°C
• Refractive Index: 1.8
• Boiling Point: 431.3 °C at 760 mmHg
• PKA: 13?+-.0.40(Predicted)
• Flash Point: 214.7 °C
• PSA: 54.70000
• Density: 1.867g/cm³
• LogP: 2.48880
• Storage Temp.: Room temperature.
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 210.97451
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

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

3-Amino-5-bromoindazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25-36/37/38-22
• Safety Statements: 45-36/37/39-26-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)C(=NN2)N
• Uses: 5-BROMO-1H-INDAZOL-3-AMINE can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.

Technology Process of 5-bromo-1H-indazol-3-amine

There total 3 articles about 5-bromo-1H-indazol-3-amine 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: 99.5%

5-Bromo-2-fluoro-benzonitrile (179897-89-3) → 3-amino-5-bromo-1H-indazole (61272-71-7)

Guidance literature:

With hydrazine; at 100 ℃; for 0.0833333h;

Reference yield:

2-amino-5-bromobenzonitrile (39263-32-6) → 3-amino-5-bromo-1H-indazole (61272-71-7)

Guidance literature:

With stannous chloride; sodium nitrite; In hydrogenchloride;

Reference yield:

→ 3-amino-5-bromo-1H-indazole (61272-71-7)

Guidance literature:

upstream raw materials:

5-Bromo-2-fluoro-benzonitrile

2-amino-5-bromobenzonitrile

Downstream raw materials:

5-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-amine

Refernces

• 1、 -. "Neurotrophic factor tyrosine kinase receptor inhibitor". Paragraph 0447; 0449-0451. . Retrieved 2018/05/30.
• 2、 -. "6-AMINOIMIDAZO[1,2-b]PYRIDAZINE ANALOGS AS RHO KINASE INHIBITORS FOR THE TREATMENT OF RHO KINASE-MEDIATED DISEASES AND CONDITIONS". Page/Page column 21. . Retrieved 2008/12/06.