Description

Propanoic acid, 2,2,3,3,3-pentafluoro-, methyl ester (CAS No. 378-75-6) is a high-purity fluorinated ester with the molecular formula C₄H₃F₅O₂. Also known as methyl 2,2,3,3,3-pentafluoropropanoate, this specialized chemical is widely utilized in advanced organic synthesis, pharmaceutical intermediates, and materials science applications. Its unique pentafluorinated structure enhances reactivity and stability, making it ideal for introducing fluorinated moieties into target molecules. This compound is supplied in rigorously controlled conditions to ensure optimal purity and performance, meeting the stringent requirements of research and industrial laboratories. Suitable for use as a reagent, solvent, or building block in fluorination reactions.

Properties

• CAS Number: 378-75-6
• Complexity: 160
• IUPAC Name: methyl 2,2,3,3,3-pentafluoropropanoate
• InChI: InChI=1S/C4H3F5O2/c1-11-2(10)3(5,6)4(7,8)9/h1H3
• InChI Key: JMKJCPUVEMZGEC-UHFFFAOYSA-N
• Exact Mass: 178.00532014
• Molecular Formula: C4H3F5O2
• Molecular Weight: 178.06
• SMILES: COC(=O)C(C(F)(F)F)(F)F
• Topological: 26.3
• Monoisotopic Mass: 178.00532014
• Synonyms: Methyl pentafluoropropionate, 378-75-6, methyl 2,2,3,3,3-pentafluoropropanoate, Pentafluoropropionic acid methyl ester, Propanoic acid, pentafluoro-, methyl ester, Perfluoropropionic acid, methyl ester, EINECS 206-828-0, BRN 1777501, Methylester kyseliny pentafluorpropionove, Methylester kyseliny pentafluorpropionove [Czech], PROPIONIC ACID, PENTAFLUORO-, METHYL ESTER, Propanoic acid, 2,2,3,3,3-pentafluoro-, methyl ester, DTXSID2059930, JMKJCPUVEMZGEC-UHFFFAOYSA-, 4-02-00-00740 (Beilstein Handbook Reference), DTXCID3039408, 206-828-0, inchi=1/c4h3f5o2/c1-11-2(10)3(5,6)4(7,8)9/h1h3, Methyl Perfluoropropionate, methylpentafluoropropionate, Methyl pentafluoropropanoate, Pentafluoropropanoic acid methyl ester, MFCD00000430, 2,2,3,3,3-Pentafluoro-propionic acid methyl ester, Perfluoropropionic Acid Methyl Ester, MP7B2SX84W, SCHEMBL1129794, SCHEMBL8177912, FD2066, SBB089358, AKOS005063339, AS-48926, DB-001401, NS00019041, P1352, F8889-9362

Application

Methyl 2,2,3,3,3-pentafluoropropanoate is commonly employed as a fluorinated synthon in pharmaceutical and agrochemical research, enabling the introduction of fluorine atoms to enhance bioactivity. It serves as a versatile intermediate in the synthesis of fluorinated polymers and specialty materials with improved thermal and chemical resistance. Additionally, this compound is used in analytical chemistry as a derivatization agent for GC-MS applications.

Safety and Hazards

GHS Hazard Statements

• H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 2 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.8%)

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