Description

2-Fluoro-2-methylpropanoic acid (CAS No. 63812-15-7) is a high-purity fluorinated carboxylic acid with the molecular formula C₄H₇FO₂. This compound, also known as 2-Fluoroisobutyric acid, is a versatile building block in organic synthesis and pharmaceutical research. Its unique fluorine substitution at the alpha position enhances reactivity and metabolic stability, making it valuable for medicinal chemistry applications. The product is supplied as a clear, colorless to pale yellow liquid with a characteristic carboxylic acid odor. It is rigorously tested for purity (typically ≥97% by GC) and is packaged under inert conditions to ensure stability. Suitable for use in nucleophilic substitutions, esterifications, and as a precursor for fluorinated analogs.

Key Features:

• CAS: 63812-15-7
• Molecular Weight: 106.10 g/mol
• Boiling Point: ~185-190°C
• Density: ~1.15 g/cm³
• Storage: Store at 2-8°C under inert atmosphere

Properties

• CAS Number: 63812-15-7
• Complexity: 87.7
• IUPAC Name: 2-fluoro-2-methyl-propanoic acid
• InChI: InChI=1S/C4H7FO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)
• InChI Key: NZDOWZQRNZLBOY-UHFFFAOYSA-N
• Exact Mass: 106.04300762
• Molecular Formula: C4H7FO2
• Molecular Weight: 106.10
• SMILES: CC(C)(C(=O)O)F
• Topological: 37.3
• Monoisotopic Mass: 106.04300762
• Synonyms: 2-fluoro-2-methylpropanoic acid, 641-324-8, 2-Fluoroisobutyric acid, 63812-15-7, MFCD03452788, 2-fluoro-2-methylpropionic acid, 2-fluoro-2-methyl-propanoic Acid, fluoroisobutyric acid, SCHEMBL134556, 2-fluoro-2-methylpropanoicacid, SCHEMBL5285437, 2-methyl-2-fluoropropionic acid, DTXSID70382325, 2-fluoro-2-methyl-propionic acid, NZDOWZQRNZLBOY-UHFFFAOYSA-N, 2-fluoranyl-2-methyl-propanoic acid, BBL102572, STL556375, AKOS005063420, AS-42129, FF101500, DB-001228, CS-0022383, EN300-95556, A834533, Z1201622349

Application

2-Fluoro-2-methylpropanoic acid serves as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its α-fluorine substitution makes it particularly useful for creating protease inhibitors and other bioactive molecules with enhanced metabolic stability. Researchers employ this compound in peptide modification studies and as a building block for PET radiotracer development. The fluorine atom’s electronegativity also facilitates interesting stereoelectronic effects in reaction pathways.

Safety and Hazards

GHS Hazard Statements

• H301 (90.9%): Toxic if swallowed [Danger Acute toxicity, oral]
• H311 (90.9%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H330 (63.6%): Fatal if inhaled [Danger Acute toxicity, inhalation]
• H331 (27.3%): Toxic if inhaled [Danger Acute toxicity, inhalation]

Precautionary Statements

• P260, P261, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (90.9%)
• Acute Tox. 3 (90.9%)
• Skin Corr. 1B (100%)
• Acute Tox. 1 (63.6%)
• Acute Tox. 3 (27.3%)

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