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Home Fluorides 5211-44-9
5211-44-9,MFCD00129954
Catalog No.:AA003FBU

5211-44-9 | 2,3,5,6-Tetrafluoro-4-mercaptobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
200mg
98%
in stock  
$109.00   $77.00
- +
250mg
95%
in stock  
$113.00   $80.00
- +
1g
98%
in stock  
$254.00   $178.00
- +
5g
98%
in stock  
$643.00   $450.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003FBU
Chemical Name:
2,3,5,6-Tetrafluoro-4-mercaptobenzoic acid
CAS Number:
5211-44-9
Molecular Formula:
C7H2F4O2S
Molecular Weight:
226.1482
MDL Number:
MFCD00129954
SMILES:
Fc1c(F)c(C(=O)O)c(c(c1S)F)F
NSC Number:
168719
Properties
Properties
 
Form:
Solid  
MP:
153 °C  
Storage:
Room Temperature;Inert atmosphere;  

Computed Properties
 
Complexity:
224  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
2  

Downstream Synthesis Route

[1]Fielding,H.C.;Shirley,I.M.[JournalofFluorineChemistry,1992,vol.59,#1,p.15-31]

sodiummetabisulfite 
  602-94-8    5211-44-9    125662-60-4 

[1]CurrentPatentAssignee:AKZONOBELNV-US5169983,1992,A

[1]JournalofOrganicChemistry,1966,vol.31,p.743-745

[2]GmelinHandbuchderAnorganischenChemie,GmelinHandbook:F:PerFHalOrg.SVol.2,6.2.1.6.1,page61-84

[1]Tamborski,C.;Soloski,E.J.[JournalofOrganicChemistry,1966,vol.31,p.746-749]

[2][GmelinHandbuchderAnorganischenChemie,GmelinHandbook:F:PerFHalOrg.SVol.2,6.2.1.6.1,page61-84]

Literature

Title: Mining the NCI antiviral compounds for HIV-1 integrase inhibitors.

Journal: Bioorganic & medicinal chemistry 20060601

Title: [Boron neutron capture therapy applied to undifferentiated thyroid carcinoma].

Journal: Medicina 20060101

Title: Quantitative determination of SH groups using 19F NMR spectroscopy and disulfide of 2,3,5,6-tetrafluoro-4-mercaptobenzoic acid.

Journal: Magnetic resonance in chemistry : MRC 20051101

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SDS
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