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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
  
250mg
95%
in stock  
$108.00   $76.00
- +
1g
>98.0%(GC)(T)
in stock  
$218.00   $152.00
- +
5g
98%
in stock  
$643.00   $450.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
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  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
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

Quotation Request
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Additional Info:
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SDS
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Tags:5211-44-9 Molecular Formula|5211-44-9 MDL|5211-44-9 SMILES|5211-44-9 2,3,5,6-Tetrafluoro-4-mercaptobenzoic acid
Catalog No.: AA003FBU
5211-44-9,MFCD00129954
5211-44-9 | 2,3,5,6-Tetrafluoro-4-mercaptobenzoic acid
Pack Size： 250mg
Purity： 95%
in stock
$108.00 $76.00
Pack Size： 1g
Purity： >98.0%(GC)(T)
in stock
$218.00 $152.00
Pack Size： 5g
Purity： 98%
in stock
$643.00 $450.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
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
Form: Solid  
MP: 153 °C  
Storage: Room Temperature;Inert atmosphere;  
Complexity: 224  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2  
Downstream Synthesis Route
5211-44-9    125662-60-4 

[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

652-18-6    7704-34-9    5211-44-9 

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

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

29786-93-4    124-38-9    769-40-4    5211-44-9 

[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 fold

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

Journal: Bioorganic & medicinal chemistry20060601

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

Journal: Medicina20060101

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 : MRC20051101

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