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Home Fluorides 405-04-9
405-04-9,MFCD00215834
Catalog No.:AA003JD4

405-04-9 | 3-Fluoro-4-hydroxybenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$11.00   $8.00
- +
5g
98%
in stock  
$14.00   $10.00
- +
10g
98%
in stock  
$24.00   $17.00
- +
25g
95%
in stock  
$44.00   $31.00
- +
100g
98%
in stock  
$156.00   $110.00
- +
  • 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:
AA003JD4
Chemical Name:
3-Fluoro-4-hydroxybenzonitrile
CAS Number:
405-04-9
Molecular Formula:
C7H4FNO
Molecular Weight:
137.1112
MDL Number:
MFCD00215834
SMILES:
N#Cc1ccc(c(c1)F)O
Properties
Properties
 
BP:
253.9°C at 760 mmHg  
Form:
Solid  
MP:
133-135°C  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
162  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
XLogP3:
1.4  

Upstream Synthesis Route

[1]MolecularCrystalsandLiquidCrystals(1969-1991),1981,vol.67,p.1-24

[1]JournalofMedicinalChemistry,2012,vol.55,#20,p.8969-8973

[1]Patent:WO2013/97773,2013,A1,.Locationinpatent:Paragraph0159;0277

[2]HelveticaChimicaActa,1984,vol.67,p.1572-1579

[3]Patent:WO2005/123748,2005,A1,.Locationinpatent:Page/Pagecolumn85-86

[4]Patent:WO2006/135316,2006,A1,.Locationinpatent:Page/Pagecolumn59

[5]Patent:WO2006/137770,2006,A1,.Locationinpatent:Page/Pagecolumn34

[1]Synlett,2016,vol.27,#9,p.1339-1343

[1]JournalofFluorineChemistry,2000,vol.102,#1-2,p.169-173

Downstream Synthesis Route
49763-65-7    405-04-9   
4-hydroxy-2-fluorophenyl4-pentylbenzoate 

[1]HelveticaChimicaActa,1984,vol.67,p.1572-1579

[1]Patent:WO2013/97773,2013,A1.Locationinpatent:Paragraph0159;0277

[2]HelveticaChimicaActa,1984,vol.67,p.1572-1579

[3]Patent:WO2005/123748,2005,A1.Locationinpatent:Page/Pagecolumn85-86

[4]Patent:WO2006/135316,2006,A1.Locationinpatent:Page/Pagecolumn59

[5]Patent:WO2006/137770,2006,A1.Locationinpatent:Page/Pagecolumn34

405-04-9    71458-14-5   
3-Fluoro-4-(4-pentyl-cyclohexylmethoxy)-benzonitrile 

[1]HelveticaChimicaActa,1985,vol.68,p.1444-1452

405-04-9    71458-12-3   
3-Fluoro-4-(4-propyl-cyclohexylmethoxy)-benzonitrile 

[1]HelveticaChimicaActa,1985,vol.68,p.1444-1452

405-04-9    71458-16-7   
3-Fluoro-4-(4-heptyl-cyclohexylmethoxy)-benzonitrile 

[1]HelveticaChimicaActa,1985,vol.68,p.1444-1452

Literature
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