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40397-90-8,MFCD00037036
Catalog No.:AA003J4J

40397-90-8 | 3-Chloro-2-methylphenyl isocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$43.00   $30.00
- +
5g
98%
in stock  
$121.00   $85.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003J4J
Chemical Name:
3-Chloro-2-methylphenyl isocyanate
CAS Number:
40397-90-8
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD00037036
SMILES:
Cc1c(cccc1Cl)N=C=O
Properties
Computed Properties
 
Complexity:
177  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
3.7  

Downstream Synthesis Route

[1]Patent:DE2004302,1970,    Chem.Abstr.,1970,vol.73

[1]Locationinpatent:experimentalpartBrown,JoshuaR.;North,EltonJ.;Hurdle,JulianG.;Morisseau,Christophe;Scarborough,JerrodS.;Sun,Dianqing;Korduláková,Jana;Scherman,MichaelS.;Jones,Victoria;Grzegorzewicz,Anna;Crew,RebeccaM.;Jackson,Mary;McNeil,MichaelR.;Lee,RichardE.[BioorganicandMedicinalChemistry,2011,vol.19,#18,p.5585-5595]

Literature
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Additional Info:
SDS
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