3-Bromoindazole

Base Information

• Chemical Name: 3-Bromoindazole
• CAS No.: 40598-94-5
• Molecular Formula: C7H5BrN2
• Molecular Weight: 197.034
• Hs Code.: 29349990
• European Community (EC) Number: 687-051-8
• DSSTox Substance ID: DTXSID30352241
• Nikkaji Number: J1.724.128A,J494.728B
• Wikidata: Q72457213
• ChEMBL ID: CHEMBL1482381
• Mol file: 40598-94-5.mol

Synonyms:3-Bromoindazole;3-bromo-1H-indazole;40598-94-5;3-bromo-2H-indazole;1H-Indazole, 3-bromo-;bromoindazole;MFCD00159926;457891-24-6;3-brom-1h-indazol;3-bromo-1 H-indazole;3-Bromoindazole, 95%;SCHEMBL61457;MLS000097926;CHEMBL1482381;SCHEMBL21802595;DTXSID30352241;HMS1755L10;HMS2496H23;BCP17108;AKOS001017084;AC-1280;CS-W007434;FS-3275;PB12113;BP-21296;SMR000060562;SY021216;A6787;AM20040425;FT-0604105;EN300-624179;J-511794;Z56791616;F3095-4764

Chemical Property of 3-Bromoindazole

Chemical Property:

• Vapor Pressure: 0.951mmHg at 25°C
• Melting Point: 143-147℃
• Refractive Index: 1.727
• Boiling Point: 179.2 °C at 760 mmHg
• PKA: 11.82±0.40(Predicted)
• Flash Point: 62.2 °C
• PSA: 28.68000
• Density: 1.77 g/cm³
• LogP: 2.32540
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 195.96361
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

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

3-Bromoindazole ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(NN=C2C=C1)Br
• Uses: 3-Bromoindazole was studied in its ability to inhibit blue light-mediated seedling development. Used to study the blue light mechanism and the genetic control of cryptochromes in the growth and development of plant species.

Technology Process of 3-Bromoindazole

There total 2 articles about 3-Bromoindazole 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:

3-Diazo-3H-indazol (2596-89-6) + hydrogen bromide (10035-10-6,12258-64-9) → benzimidazole (271-44-3) + 5-bromo-1H-indazole (53857-57-1) + 3-bromo-1H-indazole (40598-94-5) + 3,5-dibromoindazole (40598-76-3)

Guidance literature:

Reference yield:

→ 3-bromo-1H-indazole (40598-94-5) + 3,5-dibromoindazole (40598-76-3)

Guidance literature:

With carbon disulfide; bromine;

Reference yield: 99.0%

2-chloro-6-(trifluoromethyl)benzoyl chloride (916420-44-5) + 3-bromo-1H-indazole (40598-94-5) → (3-bromo-1H-indazol-1-yl)(2-chloro-6-(trifluoromethyl)phenyl)methanone

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 3h;

upstream raw materials:

3-Diazo-3H-indazol

hydrogen bromide

Downstream raw materials:

3-bromo-2-methyl-2H-indazole

3-bromo-1-methyl-1H-indazole

3,5-dibromoindazole

1-(1H-Indazol-3-yl)-cyclohexanol