4-Bromo-1-methylpyrazole Chemical Properties

Boiling point:

185-188°C

Density 

1.558

refractive index 

n20/D 1.531

Flash point:

93°C

storage temp. 

Sealed in dry,Room Temperature

form 

Liquid

pka

0.21±0.10(Predicted)

color 

Colorless to pale yellow

InChI

InChI=1S/C4H5BrN2/c1-7-3-4(5)2-6-7/h2-3H,1H3

InChIKey

IXJSDKIJPVSPKF-UHFFFAOYSA-N

SMILES

N1(C)C=C(Br)C=N1

CAS DataBase Reference

15803-02-8(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

37/38-41

Safety Statements 

26-39

RIDADR 

UN1760

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29331990

4-Bromo-1-methylpyrazole Usage And Synthesis

Uses

4-Bromo-1-methylpyrazole is a colourless or light yellow liquid at room temperature and pressure. It can be used as an intermediate in organic synthesis. It has good solubility in common organic solvents such as ethyl acetate, dichloromethane, dimethyl sulfoxide, and N, N-dimethylformamide but poor solubility in water.

Synthesis

The conventional synthesis method of 4-Bromo-1-methylpyrazole starts from methyl pyrazole and uses NBS to brominate the carbon atom at position 4 in pyrazole using water as a solvent to obtain the target product. This synthetic route is fast and simple, with high yield and convenient post-processing. It is worth noting that the boiling point of this compound is not high, and low-temperature concentration should be paid attention to during post-processing. In addition, there is also a synthetic method using liquid bromine and hydrobromic acid aqueous solution as bromination reagents.

4-Bromo-1-methylpyrazole(15803-02-8)Related Product Information

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