3-Bromo-1,5-dimethyl-1H-pyrazole

Basic Information

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CAS Number

5744-80-9

Molecular Formula

C5H7BrN2

Molecular Weight

175.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

212 ºC

Flash Point

82 ºC

Refractive Index

1.589

SMILES

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CC1=CC(=NN1C)Br

InChI

InChI=1S/C5H7BrN2/c1-4-3-5(6)7-8(4)2/h3H,1-2H3

InChIKey

NELVNOMSYNLQGQ-UHFFFAOYSA-N

LogP

1.4910199999999996

Topological Polar Surface Area

17.82 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

86.5

Synonyms & References

English

TD8130
3-Bromo-1,5-dimethyl-1H-pyrazole
3-BROMO-1,5-DIMETHYLPYRAZOLE
AKOS006312279
NELVNOMSYNLQGQ-UHFFFAOYSA-N
CS-W005278
5744-80-9
3-Bromo-1 pound not5-dimethyl-1H-pyrazole
MFCD09991542
A869678
FT-0692082
EN300-223380
DS-7503
SCHEMBL12285500
DTXSID40617393
SY076275
3-Bromo-1,5-dimethylpyrazole
1,5-Dimethyl-3-brom-pyrazol
3-Brom-1,5-dimethyl-pyrazol
EOS-60537
STL415177
AK142229
ST2404917
Z2700
574B809
3-bromo-1,5-dimethyl-pyrazole

MDL Number

MFCD09991542

FAQ

What are the physical and chemical properties of 3-Bromo-1,5-dimethyl-1H-pyrazole (CAS: 5744-80-9)?

3-Bromo-1,5-dimethyl-1H-pyrazole (CAS: 5744-80-9) is a white or off-white crystalline solid with a molecular weight of approximately 196.04 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. This compound is known for its stability under normal conditions but can undergo substitution reactions, particularly with nucleophiles. It is often used in organic synthesis and as a precursor in various chemical processes.

How is 3-Bromo-1,5-dimethyl-1H-pyrazole (CAS: 5744-80-9) typically synthesized?

3-Bromo-1,5-dimethyl-1H-pyrazole (CAS: 5744-80-9) can be synthesized via the reaction of 1,5-dimethylpyrazole with bromine or bromine chloride in the presence of a base like sodium hydroxide. The yield is generally around 70-80% with high selectivity. This method is widely used in laboratories and industrial settings for its simplicity and effectiveness.

What industries use 3-Bromo-1,5-dimethyl-1H-pyrazole (CAS: 5744-80-9)?

3-Bromo-1,5-dimethyl-1H-pyrazole (CAS: 5744-80-9) is primarily used in the pharmaceutical and chemical industries. It serves as an intermediate in the synthesis of various drugs and chemical compounds. Additionally, it has applications in polymer synthesis, where it can be used to functionalize polymers, and in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 3-Bromo-1,5-dimethyl-1H-pyrazole (CAS: 5744-80-9)?

When handling 3-Bromo-1,5-dimethyl-1H-pyrazole (CAS: 5744-80-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be contained and cleaned up using appropriate methods. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures. This compound is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight and heat sources.