117896-99-8

Basic information

• Product Name: 1,1,1-trifluoro-4-(4-hydroxyphenyl)butan-2-one
• Synonyms: 1,1,1-trifluoro-4-(4-hydroxyphenyl)butan-2-one
• CAS NO: 117896-99-8
• Molecular Formula: C₁₀H₉F₃O₂
• Molecular Weight: 218.17
• Mol File: 117896-99-8.mol

Chemical Properties

• Boiling Point: 272.5°Cat760mmHg
• Flash Point: 118.6°C
• Appearance: /
• Density: 1.304g/cm³
• Vapor Pressure: 0.00364mmHg at 25°C
• Refractive Index: 1.479
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 9.85±0.15(Predicted)
• CAS DataBase Reference: 1,1,1-trifluoro-4-(4-hydroxyphenyl)butan-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1,1-trifluoro-4-(4-hydroxyphenyl)butan-2-one(117896-99-8)
• EPA Substance Registry System: 1,1,1-trifluoro-4-(4-hydroxyphenyl)butan-2-one(117896-99-8)

Safety Data

• Hazardous Substances Data: 117896-99-8(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research and Development:
1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one is utilized as a key intermediate in the synthesis of pharmaceuticals, contributing to the development of drugs intended for the treatment of a wide range of diseases. Its unique structural features make it a valuable component in medicinal chemistry for enhancing the properties of new drug candidates.
Used in Organic Synthesis:
In the realm of organic synthesis, 1,1,1-trifluoro-4-(4-hydroxyphenyl)butan-2-one is employed as a reagent, facilitating the formation of new carbon-carbon and carbon-heteroatom bonds. This capability is crucial for the advancement of complex organic molecules and contributes to the innovation of novel chemical entities.
Used in Chemical Reactions:
1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one is also used as a reagent in various chemical reactions, where its trifluoromethyl and hydroxyphenyl groups can participate in a multitude of chemical transformations, thereby expanding the scope of synthetic methodologies available to chemists.
Used in Fine Chemicals Production:
1,1,1-trifluoro-4-(4-hydroxyphenyl)butan-2-one finds application in the production of fine chemicals, which are high-purity chemicals used in various industries, including pharmaceuticals, agriculture, and materials science. Its presence in these products is essential for achieving the desired quality and performance.

InChI:InChI=1/C10H9F3O2/c11-10(12,13)9(15)6-3-7-1-4-8(14)5-2-7/h1-2,4-5,14H,3,6H2

Upstream product

• 121749-58-4 4,4,4-trifluoro-2-(4-methoxy-benzyl)-3-oxo-butyric acid ethyl ester 
• 221915-87-3 1,1,1-trifluoro-4-(4-methoxy-phenyl)-butan-2-one 
• 63867-00-5 3-(4'-acetoxyphenyl)propionyl chloride 
• 501-97-3 4-hydroxyphenylpropionic acid 
• 7249-16-3 3-(4-acetoxyphenyl)-propionic acid 
• 288310-69-0 acetic acid 4-(4,4,4-trifluoro-3-oxo-butyl)-phenyl ester 
• 66628-99-7 3-(4-hydroxyphenyl)propanoyl chloride 
• 407-25-0 trifluoroacetic anhydride 
• 22767-72-2 ethyl 3-(4-methoxyphenyl)propanoate 
• 1929-29-9 3-(4-methoxyphenyl)propanoic acid 

Downstream Products

• 221915-88-4 4-(3,3-dimethoxy-4,4,4-trifluorobut-1-yl)phenol 

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