5-NITRO-3-BROMOINDAZOLE

Base Information

• Chemical Name: 5-NITRO-3-BROMOINDAZOLE
• CAS No.: 67400-25-3
• Molecular Formula: C7H4BrN3O2
• Molecular Weight: 242.032
• Hs Code.: 2933990090
• Mol file: 67400-25-3.mol

Synonyms:3-Bromo-5-nitro-1H-indazole;3-Bromo-5-nitroindazole;5-Nitro-3-bromoindazole;

Chemical Property of 5-NITRO-3-BROMOINDAZOLE

Chemical Property:

• Vapor Pressure: 0.0149mmHg at 25°C
• Melting Point: 227-229 ºC
• Refractive Index: 1.763
• Boiling Point: 257 °C at 760 mmHg
• PKA: 9.53±0.40(Predicted)
• Flash Point: 109.2 °C
• PSA: 74.50000
• Density: 1.965 g/cm³
• LogP: 2.75680
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-5-nitro-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:

Technology Process of 5-NITRO-3-BROMOINDAZOLE

There total 2 articles about 5-NITRO-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: 52.0%

1,5-Dinitro-3-bromo-1H-indazole (83553-83-7) + toluene (108-88-3,15644-74-3,16713-13-6) → 3-bromo-5-nitro-1H-indazole (67400-25-3) + benzyl bromide (100-39-0) + 3,5-Dinitro-1H-indazole (31164-28-0)

Guidance literature:

for 24h; Product distribution; Mechanism; Heating;

DOI:10.1021/jo00192a012

Reference yield: 27.0%

1,5-Dinitro-3-bromo-1H-indazole (83553-83-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → bromobenzene (108-86-1,52753-63-6) + 3-bromo-5-nitro-1H-indazole (67400-25-3) + 3-Bromo-5-nitro-1-phenyl-1H-indazole (91178-55-1) + 3,5-Dinitro-1-phenyl-1H-indazole (91178-57-3) + 3,5-Dinitro-1H-indazole (31164-28-0)

Guidance literature:

for 96h; Product distribution; Mechanism; Heating;

DOI:10.1021/jo00192a012

Reference yield: 99.0%

3-bromo-5-nitro-1H-indazole (67400-25-3) + p-methoxybenzyl chloride (824-94-2) → 3-bromo-1-(4-methoxybenzyl)-5-nitro-1H-indazole (1610958-32-1)

Guidance literature:

With potassium carbonate; at 25 ℃; for 2h;

upstream raw materials:

1,5-Dinitro-3-bromo-1H-indazole

benzene

toluene

Downstream raw materials:

3-Bromo-5-nitro-indazole-1-carboxylic acid (4-chloro-phenyl)-amide

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

tert-butyl 3-bromo-5-nitro-1H-indazole-1-carboxylate

3-bromo-5-nitro-1-(2-pyrrolidin-1-yl-ethyl)-1H-indazole

Refernces