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Home Other Building Blocks 56651-57-1
56651-57-1,MFCD00673060
Catalog No.:AA003LOQ

56651-57-1 | 4-Methylbenzyl isocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$153.00   $107.00
- +
5g
95%
in stock  
$477.00   $334.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003LOQ
Chemical Name:
4-Methylbenzyl isocyanate
CAS Number:
56651-57-1
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00673060
SMILES:
O=C=NCc1ccc(cc1)C
Properties
Computed Properties
 
Complexity:
153  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
3  

Downstream Synthesis Route

[1]Patent:WO2011/120604,2011,A1.Locationinpatent:Page/Pagecolumn47;48

[2]Patent:EP2377850,2011,A1.Locationinpatent:Page/Pagecolumn17-18

[1]Turner,EmmaM.;Blazer,LeviL.;Neubig,RichardR.;Husbands,StephenM.[ACSMedicinalChemistryLetters,2012,vol.3,#2,p.146-150]

[1]ACSMedicinalChemistryLetters,2012,vol.3,p.146-150

[1]Locationinpatent:experimentalpartYoshimura,Akira;Luedtke,MatthewW.;Zhdankin,ViktorV.[JournalofOrganicChemistry,2012,vol.77,#4,p.2087-2091]

56651-57-1    923565-99-5   
C22H27N3O3 

[1]Chemistry-AEuropeanJournal,2013,vol.19,p.9343-9350

Literature
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SDS
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Tags:56651-57-1 Molecular Formula|56651-57-1 MDL|56651-57-1 SMILES|56651-57-1 4-Methylbenzyl isocyanate