Description

Bis(2,2,2-trifluoroethyl) methylphosphonate (CAS No. 757-95-9) is a high-purity organophosphorus compound with the molecular formula C₅H₇F₆O₃P. Its IUPAC name is 1,1,1-trifluoro-2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane. This specialty chemical is characterized by its trifluoroethyl groups, which impart unique reactivity and stability, making it valuable for advanced synthetic and material science applications. It is supplied as a clear, colorless to pale-yellow liquid with high thermal and chemical resistance. Suitable for use in inert atmospheres, it is ideal for researchers requiring precise fluorinated phosphonate reagents for catalysis, ligand design, or polymer modification. Store in a cool, dry place under nitrogen to maintain integrity.

Properties

• CAS Number: 757-95-9
• Complexity: 224
• IUPAC Name: 1,1,1-trifluoro-2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-ethane
• InChI: InChI=1S/C5H7F6O3P/c1-15(12,13-2-4(6,7)8)14-3-5(9,10)11/h2-3H2,1H3
• InChI Key: YIUFTMLPQFZEFD-UHFFFAOYSA-N
• Exact Mass: 260.00370005
• Molecular Formula: C5H7F6O3P
• Molecular Weight: 260.07
• SMILES: CP(=O)(OCC(F)(F)F)OCC(F)(F)F
• Topological: 35.5
• Monoisotopic Mass: 260.00370005
• Synonyms: Bis(2,2,2-trifluoroethyl) methylphosphonate, 757-95-9, DTXSID10394422, DTXCID60345282, 628-255-9, 1,1,1-trifluoro-2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane, SCHEMBL575164, Phosphonic acid, methyl-, bis(2,2,2-trifluoroethyl) ester, YIUFTMLPQFZEFD-UHFFFAOYSA-N, Bis(trifluoroethyl)methylphosphonate,9, FB87524, bis(2,2,2-trifluoroethyl)methylphosphonate, E85583, EN300-9438660, Bis(2,2,2-trifluoroethyl) methylphosphonate, 98%

Application

Bis(2,2,2-trifluoroethyl) methylphosphonate is widely used as a fluorinated phosphonate building block in organic synthesis, particularly in the development of flame retardants and specialty polymers. Its electron-withdrawing trifluoroethyl groups enhance reactivity in nucleophilic substitution reactions, making it valuable for pharmaceutical intermediates. Additionally, it serves as a ligand precursor in coordination chemistry and catalysis. Researchers also employ it in surface modification to introduce hydrophobic and chemically resistant properties to materials.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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