431-72-1

Basic information

• Product Name: TRIFLUOROPYRUVIC ACID, MONOHYDRATE
• Synonyms: 3,3,3-Trifluoro-2-oxopropanoic acid hydrate;TRIFLUOROPYRUVIC ACID, MONOHYDRATE;3,3,3-Trifluoro-2-oxopropanoic acid;Trifluoropyruvic acid;Trifluoropyruvic acid hydrate
• CAS NO: 431-72-1
• Molecular Formula: C3H3F3O4
• Molecular Weight: 160.05
• Mol File: 431-72-1.mol
• Article Data: 5

Chemical Properties

• Melting Point: 122-125°C
• Boiling Point: 90℃
• Flash Point: 8℃
• Appearance: /
• Density: 1.647
• Vapor Pressure: 10mmHg at 25°C
• Refractive Index: 1.413
• PKA: 1.06±0.54(Predicted)
• CAS DataBase Reference: TRIFLUOROPYRUVIC ACID, MONOHYDRATE(CAS DataBase Reference)
• NIST Chemistry Reference: TRIFLUOROPYRUVIC ACID, MONOHYDRATE(431-72-1)
• EPA Substance Registry System: TRIFLUOROPYRUVIC ACID, MONOHYDRATE(431-72-1)

Safety Data

• Hazard Codes: C,Xi,Xn
• Statements: 34-22
• Safety Statements: 26-36/37/39
• RIDADR: 3261
• HazardClass: IRRITANT
• Hazardous Substances Data: 431-72-1(Hazardous Substances Data)

Usage

Uses

3,3,3-trifluoro-2-oxopropanoic acid (cas# 431-72-1) is a useful reagent in the biotransformation of pentafluoropropane in rat and humans.

InChI:InChI=1/C3H3F3O4/c4-2(5,6)1(7)3(8,9)10/h8-10H

Upstream product

• 13081-18-0 ethyl-3,3,3-trifluoropyruvate 
• 116-15-4 perfluoropropylene 
• 3821-82-7 α,β-Dihydroxy-α-trifluormethylpropionsaeure 
• 10321-14-9 α,α-dihydroxytrifluoropropionic acid 
• 7309-82-2 perfluoropyruvic acid fluoride 

Downstream Products

• 1239620-00-8 (3R)-spiro[cyclopentane-3',5',6',7'-[1H]-indole]1'-benzhydryl-3'-hydroxy-3'-trifluoromethyl-2',4'-dione 
• 1239619-93-2 (3R)-spiro[cyclobutane-3',5',6',7',-[1H]-indole]1'-benzhydryl-3'-hydroxy-3-trifluoromethyl-2',4'-dione 
• 1239619-94-3 (3S)-spiro[cyclobutane-3',5',6',7',-[1H]-indole]1'-benzhydryl-3'-hydroxy-3-trifluoromethyl-2',4'-dione 
• 1239620-02-0 (3R)-1-benzyl-3-hydroxy-6,6-dimethyl-3-trifluoromethyl-1,3,6,7-tetrahydropyrano[4,3-b]pyrrole-2,4-dione 
• 1239619-89-6 (3R)-1-benzhydryl-3-hydroxy-6,6-dimethyl-3-trifluoromethyl-3,5,6,7-tetrahydro-1H-indole-2,4-dione 
• 1239619-90-9 (3S)-1-benzhydryl-3-hydroxy-6,6-dimethyl-3-trifluoromethyl-3,5,6,7-tetrahydro-1H-indole-2,4-dione 
• 1239619-87-4 (3R)-1-benzhydryl-3-hydroxy-3-trifluoromethyl-3,5,6,7-tetrahydro-1H-indole-2,4-dione 
• 1239619-88-5 (3S)-1-benzhydryl-3-hydroxy-3-trifluoromethyl-3,5,6,7-tetrahydro-1H-indole-2,4-dione 
• 58457-64-0 3-(trifluoromethyl)quinoxalin-2(1H)-one 

Relevant articles and documents

Fluorinated pyrimidines. 28. The synthesis of 5-trifluoromethyl-6-azauracil and 5-trifluoromethyl-6-aza-2'-deoxyuridine.

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