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1578-63-8,MFCD00004221
Catalog No.:AA001PN4

1578-63-8 | Alpha-fluorophenylacetic acid

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250mg
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$52.00   $36.00
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1g
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001PN4
Chemical Name:
Alpha-fluorophenylacetic acid
CAS Number:
1578-63-8
Molecular Formula:
C8H7FO2
Molecular Weight:
154.1384
MDL Number:
MFCD00004221
SMILES:
FC(c1ccccc1)C(=O)O
Properties
Properties
 
BP:
261.7°C at 760 mmHg  
Form:
Solid  
MP:
82-85 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
141  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Fraisse-Jullien,R.;Thoi-Lai,N.[BulletindelaSocieteChimiquedeFrance,1967,p.3904-3909]

[1]Elkik,E.;Assadi-Far,H.[ComptesRendusdesSeancesdel'AcademiedesSciences,SerieC:SciencesChimiques,1966,vol.262,p.763-765]

[2]Cavalleri;Bellasio;Gallo;Testa[Farmaco,EdizioneScientifica,1968,vol.23,#12,p.1127-1140]

[1]Purrington,SuzanneT.;Woodard,DanielL.[JournalofOrganicChemistry,1990,vol.55,#10,p.3423-3424]

[2]Pattison,F.L.M.etal.[CanadianJournalofChemistry,1965,vol.43,p.1700-1713]

[1]CurrentPatentAssignee:ALCON,INC.-WO2019/87146,2019,A1Locationinpatent:Page/Pagecolumn20-21

[2]Elkik,E.;Assadi-Far,H.[ComptesRendusdesSeancesdel'AcademiedesSciences,SerieC:SciencesChimiques,1966,vol.262,p.763-765]

[3]Chapman,N.B.etal.[JournaloftheChemicalSocietyC:Organic,1967,p.528-530]

[4]Sap,JeroenB.I.;Wilson,ThomasC.;Kee,ChoonWee;Straathof,NatanJ.W.;Ende,ChristopherW.am;Mukherjee,Paramita;Zhang,Lei;Genicot,Christophe;Gouverneur,Véronique[ChemicalScience,2019,vol.10,#11,p.3237-3241]

[1]Purrington,SuzanneT.;Woodard,DanielL.[JournalofOrganicChemistry,1990,vol.55,#10,p.3423-3424]

[2]Umemoto,Teruo;Fukami,Shinji;Tomizawa,Ginjiro;Harasawa,Kikuko;Kawada,Kosuke;Tomita,Kyoichi[JournaloftheAmericanChemicalSociety,1990,vol.112,#23,p.8563-8575]

[3]Middleton,W.J.;Bingham,E.M.[JournaloftheAmericanChemicalSociety,1980,vol.102,#14,p.4845-4846]

Literature

Title: Chromatographic selectivity study of 4-fluorophenylacetic acid positional isomers separation.

Journal: Journal of chromatography. A 20070713

Title: Transfer of parahydrogen-induced hyperpolarization to 19F.

Journal: The journal of physical chemistry. A 20060316

Title: Investigations into tumor accumulation and peroxisome proliferator activated receptor binding by F-18 and C-11 fatty acids.

Journal: Nuclear medicine and biology 20020201

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Tags:1578-63-8 Molecular Formula|1578-63-8 MDL|1578-63-8 SMILES|1578-63-8 Alpha-fluorophenylacetic acid