4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole

Basic Information

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CAS Number

60061-68-9

Molecular Formula

C5H4BrF3N2

Molecular Weight

229 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

105.0 to 109.0 deg-C

SMILES

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CC1=C(C(=NN1)C(F)(F)F)Br

InChI

InChI=1S/C5H4BrF3N2/c1-2-3(6)4(11-10-2)5(7,8)9/h1H3,(H,10,11)

InChIKey

PDSOUBXNWWZCNB-UHFFFAOYSA-N

LogP

2.4994200000000006

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

149

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

4-Bromo-5-methyl-3-trifluoromethyl-1H-pyrazole
SB74637
MFCD00120266
AM808061
4-Bromo-3-methyl-5-trifluoromethyl-1H-pyrazole
EN300-114076
4-bromo-3-methyl-5-(trifluoromethyl)pyrazole
4-Bromo-3-Methyl-5-(Trifluoromethyl)-1h-Pyrazole
4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole
AS-5627
4-bromo-3-(trifluoromethyl)-5-(methyl)pyrazole
SY049479
A8407
DTXSID50371358
4-Bromo-5-methyl-3-trifluoromethylpyrazole
AKOS005168532
4-Bromo-5(3)-methyl-3(5)-(trifluoromethyl)pyrazole
CS-W010395
BP-10277
4-bromo-5-methyl-3-(trifluoromethyl)pyrazole
SCHEMBL316424
MFCD08060951
AKOS015901696
B4770
1H-Pyrazole, 4-bromo-3-methyl-5-(trifluoromethyl)-
4-bromo-5-methyl-3-trifluoromethylpyrazole, AldrichCPR
60061-68-9
4-Bromo-3-methyl-5-(trifluoromethyl)-1H-pyrazole
4-Bromo-3-methyl-5-(trifluoromethyl)pyrazole
NULL
PDSOUBXNWWZCNB-UHFFFA

MDL Number

MFCD00120266

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole (CAS: 60061-68-9)?

4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole is a crystalline compound with a molecular weight of approximately 267.01 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. The compound is known for its high reactivity, particularly towards nucleophilic substitution reactions. It also exhibits strong electrophilic character due to the presence of the trifluoromethyl group.

How is 4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole (CAS: 60061-68-9) typically synthesized?

4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole is commonly synthesized via the reaction of 5-methyl-3-(trifluoromethyl)-1H-pyrazole with bromine in the presence of a base such as potassium carbonate. The reaction is carried out in a solvent like acetonitrile, and the yield is typically around 75-80%. Selectivity and purity can be improved by using appropriate purification techniques.

What industries use 4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole (CAS: 60061-68-9)?

4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole finds applications in the pharmaceutical industry for the synthesis of drug candidates. It is also used in the polymer industry as a precursor for fluorinated polymers. Additionally, the compound is utilized in the development of sensors and as a building block for semiconductors due to its unique electronic properties.

What precautions should be taken when handling 4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole (CAS: 60061-68-9)?

When handling 4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole, it is essential to wear appropriate personal protective equipment (PPE) including gloves, lab coat, and safety goggles. The compound should be stored in a cool, dry place, away from direct sunlight and sources of ignition. In case of a spill, it should be handled using a fume hood to minimize exposure. For detailed safety information, refer to the safety data sheet (SDS) and follow proper laboratory safety guidelines.