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Home Fluorides 402-66-4
402-66-4,MFCD01318537
Catalog No.:AA003474

402-66-4 | 5-Fluoronicotinic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$9.00   $6.00
- +
5g
98%
in stock  
$13.00   $9.00
- +
25g
95%
in stock  
$56.00   $39.00
- +
100g
95%
in stock  
$175.00   $123.00
- +
500g
95%
in stock  
$762.00   $534.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003474
Chemical Name:
5-Fluoronicotinic acid
CAS Number:
402-66-4
Molecular Formula:
C6H4FNO2
Molecular Weight:
141.0999
MDL Number:
MFCD01318537
SMILES:
OC(=O)c1cc(F)cnc1
Properties
Properties
 
BP:
272.2°C at 760 mmHg  
Form:
Solid  
MP:
194 °C  
Solubility:
Soluble in methanol.  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
140  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.5  

Upstream Synthesis Route

[1]Patent:US2006/58529,2006,A1,.Locationinpatent:Page/Pagecolumn8

[1]EuropeanJournalofOrganicChemistry,2005,#10,p.2116-2123

[1]JournalofOrganicChemistry,1988,vol.53,#15,p.3513-3521

[2]JournalofOrganicChemistry,1949,vol.14,p.328,331

[1]EuropeanJournalofOrganicChemistry,2005,#10,p.2116-2123

[1]EuropeanJournalofOrganicChemistry,2005,#10,p.2116-2123

[2]EuropeanJournalofOrganicChemistry,2005,#10,p.2116-2123

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1988,vol.53,p.3513-3521

[2]JournalofOrganicChemistry,1949,vol.14,p.328,331

[1]JournaloftheChemicalSociety,1951,p.3512

[1]JournalofOrganicChemistry,1988,vol.53,p.3513-3521

[1]JournalofMedicinalChemistry,1999,vol.42,p.3701-3710

[1]JournalofOrganicChemistry,1988,vol.53,p.3513-3521

[2]JournalofOrganicChemistry,1949,vol.14,p.328,331

Literature

Title: Agonist lead identification for the high affinity niacin receptor GPR109a.

Journal: Bioorganic & medicinal chemistry letters 20070901

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SDS
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