Description

3-Chloro-2,2,3,3-tetrafluoropropanoic acid (CAS No. 661-82-5) is a high-purity fluorinated organic compound with the molecular formula C₃HClF₄O₂. This specialty chemical is widely used in pharmaceutical, agrochemical, and materials science research due to its unique fluorinated structure, which enhances reactivity and stability in synthetic applications. It is supplied as a clear, colorless to pale yellow liquid with a pungent odor, and is stored under inert conditions to maintain its integrity. Ideal for nucleophilic substitution reactions, this compound is rigorously tested for purity (typically ≥98% by GC) and is available in various packaging options to suit laboratory and industrial-scale needs. Handle with care in a well-ventilated environment, using appropriate personal protective equipment (PPE).

Properties

• CAS Number: 661-82-5
• Complexity: 157
• IUPAC Name: 3-chloro-2,2,3,3-tetrafluoro-propanoic acid
• InChI: InChI=1S/C3HClF4O2/c4-3(7,8)2(5,6)1(9)10/h(H,9,10)
• InChI Key: XJRMCFMZGRJXEZ-UHFFFAOYSA-N
• Exact Mass: 179.9601196
• Molecular Formula: C3HClF4O2
• Molecular Weight: 180.48
• SMILES: C(=O)(C(C(F)(F)Cl)(F)F)O
• Topological: 37.3
• Monoisotopic Mass: 179.9601196
• Synonyms: 661-82-5, 3-chloro-2,2,3,3-tetrafluoropropanoic acid, DTXSID00382111, DTXCID30333136, 678-366-1, 3-Chlorotetrafluoropropionic acid, 3-Chloro-2,2,3,3-tetrafluoropropionic Acid, 3-CHLOROTETRAFLUOROPROPIONICACID, MFCD00153099, 3-CHLOROTETRAFLUOROPROPANOIC ACID, SCHEMBL5916988, SBB089715, STK449937, AKOS003791255, MS-20028, C2356, CS-0121213, D89505, EN300-7387816

3-Chloro-2,2,3,3-tetrafluoropropanoic acid is a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals, where its chlorine and fluorine substituents enable precise functionalization. It is also employed in the development of advanced materials, such as liquid crystals and polymers, due to its ability to modify electronic and steric properties. Researchers utilize this compound in catalytic processes and as a building block for complex molecules requiring enhanced metabolic stability.

Safety and Hazards

GHS Hazard Statements

• H290 (33.3%): May be corrosive to metals [Warning Corrosive to Metals]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501

Hazard Classes and Categories

• Met. Corr. 1 (33.3%)
• Skin Corr. 1B (100%)
• Eye Dam. 1 (33.3%)

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