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51488-22-3,MFCD01863685
Catalog No.:AA003GTQ

51488-22-3 | 2-Chloro-4-(trifluoromethyl)phenyl isocyanate

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1g
98%
in stock  
$366.00   $257.00
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5g
98%
in stock  
$1,286.00   $900.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003GTQ
Chemical Name:
2-Chloro-4-(trifluoromethyl)phenyl isocyanate
CAS Number:
51488-22-3
Molecular Formula:
C8H3ClF3NO
Molecular Weight:
221.5637
MDL Number:
MFCD01863685
SMILES:
O=C=Nc1ccc(cc1Cl)C(F)(F)F
Properties
Computed Properties
 
Complexity:
250  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
1  
XLogP3:
4.2  

Downstream Synthesis Route

[1]Patent:US2012/270918,2012,A1.Locationinpatent:Page/Pagecolumn5

[1]JournalofMedicinalChemistry,2013,vol.56,p.1641-1655

[2]ChineseChemicalLetters,2018,vol.29,p.977-980

593-71-5    51488-22-3   
2-chloro-N-2-chloro-4-(trifluoromethyl)phenylacetamide 

[1]Pace,Vittorio;Castoldi,Laura;Mamuye,AshenafiDamtew;Holzer,Wolfgang[Synthesis,2014,vol.46,#21,p.2897-2909]

557-68-6    51488-22-3   
2-bromo-N-2-chloro-4-(trifluoromethyl)phenylacetamide 

[1]Pace,Vittorio;Castoldi,Laura;Mamuye,AshenafiDamtew;Holzer,Wolfgang[Synthesis,2014,vol.46,#21,p.2897-2909]

21224-16-8    51488-22-3   
1-2-chloro-4-(trifluoromethyl)phenyl-3-(6-ethyl-1,3-benzothiazol-2-yl)urea 

[1]EuropeanJournalofMedicinalChemistry,2016,vol.115,p.352-360

Literature
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SDS
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