Description

4-Bromo-3-methyl-5-(trifluoromethyl)pyrazole (CAS No. 60061-68-9) is a high-purity heterocyclic compound with the molecular formula C₅H₄BrF₃N₂. This brominated pyrazole derivative features a reactive bromine substituent at the 4-position and a trifluoromethyl group at the 5-position, making it a versatile building block for pharmaceutical, agrochemical, and materials science research. Its IUPAC name, 4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole, reflects its precise structural configuration. Suitable for nucleophilic substitution reactions, cross-coupling chemistry, and as a precursor for advanced fluorinated compounds, this product is rigorously tested for quality (≥95% purity by HPLC) and supplied in secure, light-resistant packaging to ensure stability. Ideal for researchers requiring specialized fluorinated pyrazole scaffolds.

Properties

• CAS Number: 60061-68-9
• Complexity: 149
• IUPAC Name: 4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole
• InChI: InChI=1S/C5H4BrF3N2/c1-2-3(6)4(11-10-2)5(7,8)9/h1H3,(H,10,11)
• InChI Key: PDSOUBXNWWZCNB-UHFFFAOYSA-N
• Exact Mass: 227.95100
• Molecular Formula: C5H4BrF3N2
• Molecular Weight: 229.00
• SMILES: CC1=C(C(=NN1)C(F)(F)F)Br
• Topological: 28.7
• Monoisotopic Mass: 227.95100
• Synonyms: 4-Bromo-3-Methyl-5-(Trifluoromethyl)-1h-Pyrazole, 4-bromo-3-methyl-5-(trifluoromethyl)pyrazole, 641-342-6, 60061-68-9, 4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole, 4-bromo-5-methyl-3-(trifluoromethyl)pyrazole, 4-Bromo-5-methyl-3-trifluoromethylpyrazole, MFCD08060951, 4-Bromo-3-methyl-5-trifluoromethyl-1H-pyrazole, 1H-Pyrazole, 4-bromo-3-methyl-5-(trifluoromethyl)-, MFCD00120266, 4-Bromo-5(3)-methyl-3(5)-(trifluoromethyl)pyrazole, 4-bromo-3-(trifluoromethyl)-5-(methyl)pyrazole, 4-Bromo-5-methyl-3-trifluoromethyl-1H-pyrazole, SCHEMBL316424, SCHEMBL3402634, SCHEMBL16910991, SCHEMBL16911445, DTXSID50371358, SBB025827, STK352755, AKOS005168532, AKOS015901696, AS-5627, CS-W010395, SB74637, BP-10277, SY049479, B4770, ST50408731, EN300-114076

Application

4-Bromo-3-methyl-5-(trifluoromethyl)pyrazole is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its reactive bromine moiety enables Suzuki-Miyaura or Buchwald-Hartwig couplings for constructing complex heterocycles. The trifluoromethyl group enhances lipophilicity and metabolic stability in drug candidates. Researchers also employ it in material science for developing functionalized polymers and ligands in catalysis.

Safety and Hazards

GHS Hazard Statements

• H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (25%)
• Acute Tox. 4 (12.5%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (25%)
• STOT SE 3 (87.5%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.