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40398-00-3,MFCD03701592
Catalog No.:AA003GUQ

40398-00-3 | 2-Chloro-1-isocyanato-4-methylbenzene

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250mg
in stock  
$70.00   $49.00
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1g
in stock  
$122.00   $85.00
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5g
in stock  
$436.00   $305.00
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25g
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$1,436.00   $1,005.00
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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:
AA003GUQ
Chemical Name:
2-Chloro-1-isocyanato-4-methylbenzene
CAS Number:
40398-00-3
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD03701592
SMILES:
O=C=Nc1ccc(cc1Cl)C
Properties
Properties
 
BP:
231-232 °C(lit.)  
Form:
Liquid  
MP:
26-30 °C(lit.)  
Storage:
2-8℃;  

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]CurrentPatentAssignee:PFIZERINC-DE2201668,1972,A1[Chem.Abstr.,1973,vol.78,#71706][Chem.Abstr.,1973,vol.78,#71706]

[1]CurrentPatentAssignee:PFIZERINC-DE2201668,1972,A1[Chem.Abstr.,1973,vol.78,#71706][Chem.Abstr.,1973,vol.78,#71706]

[1]Epshtein,S.P.;Rukasov,A.F.;Tashchi,V.P.;Putsykin,Yu.G.;Baskakov,Yu.A.;Simonova,T.G.[ChemistryofHeterocyclicCompounds,1983,p.74-78][KhimiyaGeterotsiklicheskikhSoedinenii,1983,vol.19,#1,p.82-87]

[1]Douglas;Diamond;Studt;Mir;Alioto;Auyang;Burns;Cias;Darkes;Dodson;O'Connor;Santora;Tsuei;Zalipsky;Zimmerman[Arzneimittel-Forschung/DrugResearch,1978,vol.28,#8A,p.1435-1441]

methyl2,3,4-tri-O-acetyl-D-glucopyranuronate 
  40398-00-3    247075-26-9 

[1]Leenders,RubenG.G.;Damen,EricW.P.;Bijsterveld,EdwardJ.A.;Scheeren,HansW.;Houba,PieterH.J.;VanDerMeulen-Muileman,IdaH.;Boven,Epie;Haisma,HiddeJ.[BioorganicandMedicinalChemistry,1999,vol.7,#8,p.1597-1610]

Literature
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SDS
Tags:40398-00-3 Molecular Formula|40398-00-3 MDL|40398-00-3 SMILES|40398-00-3 2-Chloro-1-isocyanato-4-methylbenzene