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653-21-4,MFCD00004316
Catalog No.:AA003FAE

653-21-4 | 2,3,4,5,6-Pentafluorophenylacetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$29.00   $20.00
- +
1g
98%
in stock  
$53.00   $37.00
- +
5g
95%
in stock  
$189.00   $132.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003FAE
Chemical Name:
2,3,4,5,6-Pentafluorophenylacetic acid
CAS Number:
653-21-4
Molecular Formula:
C8H3F5O2
Molecular Weight:
226.1002
MDL Number:
MFCD00004316
SMILES:
OC(=O)Cc1c(F)c(F)c(c(c1F)F)F
Properties
Properties
 
BP:
235.3 °C at 760 mmHg  
Form:
Solid  
MP:
108-110 °C(lit.)  
Solubility:
95% ethanol: soluble50mg/mL, clear, colorless to very faintly yellow  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
233  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.9  

Downstream Synthesis Route
653-21-4    72648-80-7   
{N-2-(tert-Butoxycarbonylamino)ethyl-N-2-(pentafluorophenyl)acetylamino}aceticacidethylester 

[1]JournaloftheChemicalSociety.PerkinTransactions1(2001),2001,p.1605-1611

[1]JournaloftheChemicalSociety,1961,p.808-817

[2]JournaloftheChemicalSociety,1961,p.808-817

[1]JournaloftheChemicalSociety,1961,p.808-817

[2]JournaloftheChemicalSociety,1961,p.808-817

[1]BioorganicandMedicinalChemistry,2011,vol.19,p.2582-2588

653-21-4    35661-40-6    147762-53-6   
C26H22F5N2O8P 

[1]Hsu,Shu-Min;Chang,Jui-Wen;Wu,Fang-Yi;Lin,Yu-Chun;Lai,Tsung-Sheng;Cheng,Hsun;Lin,Hsin-Chieh[RSCAdvances,2015,vol.5,#41,p.32431-32434]

Literature
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SDS
Tags:653-21-4 Molecular Formula|653-21-4 MDL|653-21-4 SMILES|653-21-4 2,3,4,5,6-Pentafluorophenylacetic acid |Fluorinated_Building_Blocks