104599-37-3

Basic information

• Product Name: 4,5-dibroMo-3-nitro-1H-pyrazole
• Synonyms: 4,5-dibroMo-3-nitro-1H-pyrazole;3,4-DibroMo-5-nitro-1H-pyrazole
• CAS NO: 104599-37-3
• Molecular Formula: C3HBr2N3O2
• Molecular Weight: 271
• Mol File: 104599-37-3.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 365.6±37.0 °C(Predicted)
• Appearance: /
• Density: 2.419
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 3.91±0.50(Predicted)
• CAS DataBase Reference: 4,5-dibroMo-3-nitro-1H-pyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 4,5-dibroMo-3-nitro-1H-pyrazole(104599-37-3)
• EPA Substance Registry System: 4,5-dibroMo-3-nitro-1H-pyrazole(104599-37-3)

Safety Data

• Hazardous Substances Data: 104599-37-3(Hazardous Substances Data)

Usage

General Description

4,5-dibrom0-3-nitro-1H-pyrazole is a chemical compound with the molecular formula C3H2Br2N3O2. It is a nitro-substituted pyrazole derivative that combines bromine and nitro groups. 4,5-dibroMo-3-nitro-1H-pyrazole is often used in the synthesis of pharmaceuticals and agrochemicals, as well as in the development of new materials and organic compounds. It is known for its high reactivity and is widely used in organic chemistry research. 4,5-dibrom0-3-nitro-1H-pyrazole is also considered to be potentially hazardous and should be handled with care in a laboratory setting.

Upstream product

• 26621-44-3 5-nitro-1H-pyrazole 
• 104599-40-8 1-nitro-3,4,5-tribromo-1H-pyrazole 
• 67-51-6 3,5-dimethyl-1H-pyrazole 
• 17635-44-8 3,4,5-tribromo-1H-pyrazole 

Downstream Products

• 1203705-55-8 5-amino-3-bromo-1H-pyrazole 

Relevant articles and documents

TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS

Embodiments of the disclosure relate to tetrahydropyrazolopyrimidine compounds that act as antagonists or inhibitors for Toll-like receptors 7 and/or 8, and their use in pharmaceutical compositions effective for treatment of systemic lupus erythematosus (SLE) and lupus nephritis

Selective Thermolysis Reactions of Bromo-1-nitro-1H-pyrazoles. Formation of 3-Nitro-1H-vs. 4-Nitro-1H-pyrazoles

Refluxing 3,4,5,-tribromo-1-nitro-1H-pyrazole (1a) in benzene results in the evolution of bromine and NO2 and gives the 4-nitro-1H-pyrazole 2 and the 1-phenyl-1H-pyrazoles 4 and 5, while heating 1a in toluene gives 2 and benzyl bromide.Thermolysis of 1a in refluxing acetonitrile affords both 2 and the isomeric 5-nitro-1H-pyrazole 6a.Refluxing 1a mixed with the electron-rich 3,5-dimethyl-1H-pyrazole (7) in all three solvents gives 6a and 4-bromo-3,5-dimethyl-1H-pyrazole (8), whereas refluxing 1a mixed with anisole in benzene solution gives 2 and bromoanisoles.3,5-Dibromo-1-nitro-1H-pyrazole (1b) in refluxing acetonitrile gives mainly 3,4-dibromo-5-nitro-1H-pyrazole (6a) and 3,5-dibromo-1H-pyrazole (3b), but refluxing 1b mixed with 7 affords 3-bromo-5-nitro-1H-pyrazole (6b).Possible mechanisms are discussed involving intramolecular rearrangements to intermediates 3-bromo-3-nitro-3H-pyrazoles 9a,b and 4-bromo-4-nitro-4H-pyrazole 10 responsible both for the loss of bromine and NO2 as well as for the electrophilic bromination of 7 and anisole.