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Home Other Building Blocks 42066-86-4
42066-86-4,MFCD00829130
Catalog No.:AA00BYYL

42066-86-4 | 2-Cyanophenyl isocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$137.00   $96.00
- +
5g
97%
in stock  
$386.00   $270.00
- +
10g
97%
in stock  
$585.00   $410.00
- +
25g
97%
in stock  
$1,158.00   $811.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BYYL
Chemical Name:
2-Cyanophenyl isocyanate
CAS Number:
42066-86-4
Molecular Formula:
C8H4N2O
Molecular Weight:
144.1302
MDL Number:
MFCD00829130
SMILES:
O=C=Nc1ccccc1C#N
Properties
Properties
 
BP:
266.2°C at 760 mmHg  
Form:
Solid  
MP:
61 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
222  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
1  
XLogP3:
2.4  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1991,vol.34,p.281-290

[1]JournalofMedicinalChemistry,1991,vol.34,p.281-290

515-96-8    42066-86-4   
N-(2-Cyanphenyl)-2-oxamidoylhydrazincarbonsaeureamid 

[1]Thom;Zinner[ArchivderPharmazie,1994,vol.327,#8,p.469-475]

42066-86-4    17609-47-1   
2-3-(2-cyano-phenyl)-ureido-3-methyl-butyricacidethylester 

[1]Tetrahedron,2006,vol.62,p.7653-7660

[2]Synlett,2003,p.1743-1745

[1]Tetrahedron,2007,vol.63,p.11287-11298

Literature
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SDS
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Tags:42066-86-4 Molecular Formula|42066-86-4 MDL|42066-86-4 SMILES|42066-86-4 2-Cyanophenyl isocyanate