148043-70-3

Basic information

• Product Name: 5,5,6,6,6-PENTAFLUOROHEXANE ACID
• Synonyms: 5,5,6,6,6-PENTAFLUOROHEXANE ACID;5,5,6,6,6-PENTAFLUOROHEXANOIC ACID;RARECHEM AL BO 1062
• CAS NO: 148043-70-3
• Molecular Formula: C6H7F5O2
• Molecular Weight: 206.11
• Mol File: 148043-70-3.mol

Chemical Properties

• Boiling Point: 180.6°C at 760 mmHg
• Flash Point: 63.1°C
• Appearance: /
• Density: 1.378g/cm³
• Vapor Pressure: 0.413mmHg at 25°C
• Refractive Index: 1.349
• PKA: 4.56±0.10(Predicted)
• CAS DataBase Reference: 5,5,6,6,6-PENTAFLUOROHEXANE ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5,5,6,6,6-PENTAFLUOROHEXANE ACID(148043-70-3)
• EPA Substance Registry System: 5,5,6,6,6-PENTAFLUOROHEXANE ACID(148043-70-3)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 148043-70-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C6H7F5O2/c7-5(8,6(9,10)11)3-1-2-4(12)13/h1-3H2,(H,12,13)

Upstream product

• 148043-69-0 methyl 5,5,6,6,6-pentafluorohexanoate 
• 148043-68-9 methyl 5,5,6,6,6-pentafluoro-3-iodohexanoate 
• 476415-36-8 5,5,6,6,6-pentafluorohexanecarbonitrile 

Downstream Products

• 148043-75-8 (4R)-3-(5,5,6,6,6-pentafluoro-1-oxohexyl)-4-(phenylmethyl)-2-oxazolidinone 
• 148043-85-0 (2S,4R)-3-(2-azido-5,5,6,6,6-pentafluoro-1-oxohexyl)-4-(phenylmethyl)-2-oxazolidinone 

Relevant articles and documents

3-ethyl-, 3-propyl- or 3-butyl-chroman and thiochroman derivatives

A compound having the following general formula (1): in whichR1 represents an ethyl group, etc.;R2 represents a hydrogen atom, etc.;R3 represents a C1-C5 perhalogenoalkyl group, etc.;each of R4 and R5 independently represents a hydrogen atom, etc.;X represents an oxygen atom or a sulfur atom;m represents an integer of 2 to 14; andn represents an integer of 2 to 7;or an enantiomer of the compound, or a hydrate or a pharmaceutically acceptable salt of the compound or its enantiomer is advantageous in pharmaceutical use because of its anti-estrogenic activity.

Synthesis of Amino Acids with Modified Principal Properties 1. Amino Acids with Fluorinated Side Chains

The synthesis and characterization of chiral fluorinated analogues of norvaline and norleucine from commercially available starting materials are presented.Full experimental details for the synthesis of the following amino acids are given: (S)-4,4-difluoronorvaline, (S)-4,4,5,5,5-pentafluoronorvaline, (S)-5,5-difluoronorleucine, (S)-5,5,6,6,6-pentafluoronorleucine, and (S)-4,4,5,5,6,6,6-heptafluoronorleucine.These compounds were prepared with a view to obtaining new amino acids which possess physical and chemical properties so that their principal properties would be outside the range of variation of hitherto known amino acids.The principal properties are determined as latent variables in principal component analysis of molecular property descriptors.Two of the fluorinated amino acids, (S)-5,5,6,6,6-pentafluoronorleucine and (S)-4,4,5,5,6,6,6-heptafluoronorleucine were found to have principal properties outside the variation of previously characterized natural and synthetic amino acids.The principal properties, z parameters, for the five new fluorinated amino acids are given.