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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
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

Quotation Request
Company Name:
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Quantity Required:
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Additional Info:
Submit
SDS
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Tags:402-66-4 Molecular Formula|402-66-4 MDL|402-66-4 SMILES|402-66-4 5-Fluoronicotinic acid
Catalog No.: AA003474
402-66-4,MFCD01318537
402-66-4 | 5-Fluoronicotinic acid
Pack Size： 1g
Purity： 98%
in stock
$9.00 $6.00
Pack Size： 5g
Purity： 98%
in stock
$13.00 $9.00
Pack Size： 25g
Purity： 95%
in stock
$56.00 $39.00
Pack Size： 100g
Purity： 95%
in stock
$175.00 $123.00
Pack Size： 500g
Purity： 95%
in stock
$762.00 $534.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
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
BP: 272.2°C at 760 mmHg  
Form: Solid  
MP: 194 °C  
Solubility: Soluble in methanol.  
Storage: Inert atmosphere;Room Temperature;  
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
82671-06-5    402-66-4 

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

860296-20-4    402-66-4 

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

407-21-6    402-66-4 

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

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

860296-26-0    124-38-9    1068-55-9    402-66-4 

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

372-47-4    402-66-4 

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

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

Downstream Synthesis Route
407-21-6    402-66-4 

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

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

24242-19-1    402-66-4 

[1]JournaloftheChemicalSociety,1951,p.3512

186581-53-3    402-66-4    455-70-9 

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

402-66-4    210169-05-4 

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

3430-19-1    402-66-4 

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

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

Literature fold

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

Journal: Bioorganic & medicinal chemistry letters20070901

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