Description

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS: 113100-53-1) is a high-purity trifluoromethyl-substituted pyrazole derivative designed for advanced research and industrial applications. With the molecular formula C₆H₅F₃N₂O₂, this compound serves as a versatile building block in medicinal chemistry, agrochemical synthesis, and material science. Its unique trifluoromethyl group enhances lipophilicity and metabolic stability, making it invaluable for drug discovery and pesticide development. This product is rigorously tested for quality (≥97% purity) and is available in various packaging options to meet laboratory-scale and bulk requirements. Store in a cool, dry environment to ensure long-term stability.

Properties

• CAS Number: 113100-53-1
• Complexity: 218
• IUPAC Name: 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
• InChI: InChI=1S/C6H5F3N2O2/c1-11-2-3(5(12)13)4(10-11)6(7,8)9/h2H,1H3,(H,12,13)
• InChI Key: FZNKJQNEJGXCJH-UHFFFAOYSA-N
• Exact Mass: 194.03031189
• Molecular Formula: C6H5F3N2O2
• Molecular Weight: 194.11
• SMILES: CN1C=C(C(=N1)C(F)(F)F)C(=O)O
• Topological: 55.1
• Monoisotopic Mass: 194.03031189
• Synonyms: 113100-53-1, 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, DTXSID20379644, DTXCID80330670, 601-232-0, 3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid, 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic Acid, 1-methyl-3-trifluoromethyl-1h-pyrazole-4-carboxylic acid, 1-methyl-3-trifluoromethyl-4-pyrazolecarboxylic acid, MFCD01936005, 1-Methyl-3-trifluoromethylpyrazole-4-carboxylic acid, 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic Acid; 1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxylic Acid, 1H-Pyrazole-4-carboxylic acid, 1-methyl-3-(trifluoromethyl)-, Penthiopyrad metabolite PCA, SCHEMBL353314, 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylicacid, SBB053196, STL411787, TD8034, AKOS005069408, CS-W008223, 11M-321S, AC-27623, SY021577, DB-060270, M2628, NS00067634, EN300-41884, 1-Methyl-3-(trifluoromethyl)-4-pyrazolecarboxylic Acid, F8889-5418, Z425364396, 3-trifluoromethyl-1-methyl-1H-pyrazol-4-ylcarboxylic acid, 3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid, 97%

This compound is widely used as an intermediate in the synthesis of pharmaceuticals, particularly in the development of bioactive molecules targeting inflammation and infectious diseases. Researchers leverage its trifluoromethyl group to optimize drug candidates for improved pharmacokinetic properties. Additionally, it serves as a precursor in agrochemical formulations, enhancing the efficacy of fungicides and herbicides. Its reactivity also makes it suitable for material science applications, including the design of specialty polymers.

Safety and Hazards

GHS Hazard Statements

• H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (25%): 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 (75%): 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 (25%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (25%)
• STOT SE 3 (75%)

If you are interested or have any questions, please contact us at support@atomfair.com

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