4-Bromopyrazole Chemical Properties

Melting point:

93-96 °C (lit.)

Boiling point:

250-260 °C (lit.)

Density 

1.5979 (rough estimate)

refractive index 

1.5260 (estimate)

storage temp. 

Inert atmosphere,Room Temperature

solubility 

Chloroform, DMSO, Methanol

form 

Crystalline Powder

pka

12.71±0.50(Predicted)

color 

White to cream

Water Solubility 

Slightly soluble in water.

InChI

InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)

InChIKey

FHZALEJIENDROK-UHFFFAOYSA-N

SMILES

N1C=C(Br)C=N1

CAS DataBase Reference

2075-45-8(CAS DataBase Reference)

NIST Chemistry Reference

1H-pyrazole, 4-bromo-(2075-45-8)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-37/39

WGK Germany 

3

RTECS 

UQ6200000

HazardClass 

IRRITANT

HS Code 

29331990

MSDS

• Language:English Provider:SigmaAldrich

4-Bromopyrazole Usage And Synthesis

Chemical Properties

White to cream crystalline powder

Uses

4-Bromopyrazole can be used as starting material employed in a synthesis of 1,4′-bipyrazoles and in suzuki reaction.

Uses

As a mono substituted pyrozole, 4-Bromopyrazole can be used as Inhibitor of human liver alcohol dehydrogenase and used in mutagenicity study with the L-arabinose resistance test of Salmonella typhimurium.

General Description

4-Bromopyrazole is a pyrazole derivative. It is reported to react with titanium tetrachloride to afford binary adducts. Mutagenicity of 4-bromopyrazole has been tested using the L-arabinose forward mutation assay of Salmonella typhimurium. It is reported to inhibit the oxidative phosphorylation, the ATP^-32P exchange reaction, and energy dependent and independent calcium uptake.

References

[1] Saied M. Soliman, Ahmed M.A. Badr. “Synthesis, structure and Hirshfeld analysis of the potent antimicrobial [Ag(4-bromopyrazole)2ClO4] complex.” Polyhedron 171 (2019): Pages 323-329.
[2] Shaoling Wang , Hongkun Zhao, Cunbin Du . “Solubility, solution thermodynamics and preferential solvation for 4-bromopyrazole in mixed solvents of (methanol/ethanol+ water) from T = (283.15 to 318.15) K.” Journal of Chemical Thermodynamics 112 (2017): Pages 146-154.

4-Bromopyrazole(2075-45-8)Related Product Information

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