Home Fluorides 42601-04-7
42601-04-7,MFCD00065711
Catalog No.:AA003IEE

42601-04-7 | 3,4-DIFLUOROPHENYL ISOCYANATE

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1g
98%
in stock  
$50.00   $35.00
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5g
>98.0%(GC)
in stock  
$215.00   $150.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003IEE
Chemical Name:
3,4-DIFLUOROPHENYL ISOCYANATE
CAS Number:
42601-04-7
Molecular Formula:
C7H3F2NO
Molecular Weight:
155.1016
MDL Number:
MFCD00065711
SMILES:
O=C=Nc1ccc(c(c1)F)F
Properties
Properties
 
Form:
Liquid  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
179  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
1  
XLogP3:
3.1  

Downstream Synthesis Route
51640-52-9    42601-04-7   
1-(5-cyano-thiazol-2-yl)-3-(3,4-difluoro-phenyl)-urea 

[1]BioorganicandMedicinalChemistryLetters,2004,vol.14,p.235-238

42601-04-7    303994-99-2   
1-(4-<i>tert</i>-butyl-5-cyano-thiazol-2-yl)-3-(3,4-difluoro-phenyl)-urea 

[1]BioorganicandMedicinalChemistryLetters,2004,vol.14,p.235-238

[1]BioorganicandMedicinalChemistryLetters,2013,vol.23,p.4562-4566

[1]Wen,Wandong;Wu,Wenjun;Romaine,IanM.;Kaufmann,Kristian;Du,Yu;Sulikowski,GaryA.;Weaver,C.David;Lindsley,CraigW.[BioorganicandMedicinalChemistryLetters,2013,vol.23,#16,p.4562-4566]

[1]BioorganicandMedicinalChemistryLetters,2013,vol.23,p.5660-5666

Literature
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SDS
Tags:42601-04-7 Molecular Formula|42601-04-7 MDL|42601-04-7 SMILES|42601-04-7 3,4-DIFLUOROPHENYL ISOCYANATE |Fluorinated_Building_Blocks