Home Nitro Compounds 952-03-4
952-03-4,MFCD21332989
Catalog No.:AA00665A

952-03-4 | 1-Methyl-3-(3-nitrophenyl)benzene

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1g
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$211.00   $148.00
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5g
96%
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$610.00   $427.00
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10g
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$1,009.00   $706.00
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  • Technical Information
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Technical Information
Catalog Number:
AA00665A
Chemical Name:
1-Methyl-3-(3-nitrophenyl)benzene
CAS Number:
952-03-4
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD21332989
SMILES:
Cc1cccc(c1)c1cccc(c1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
249  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
4.2  

Downstream Synthesis Route
bis-(3-nitro-phenyl)-iodonium;hydrogensulfate 
  937-01-9    952-03-4 

[1]Bumagin,N.A.;Sukhomlinova,L.I.;Igushkina,S.O.;Banchikov,A.N.;Tolstaya,T.P.;Beletskaya,I.P.[Bull.Russ.Acad.Sci.Div.Chem.Sci.(Engl.Transl.),1992,vol.41,#11.2,p.2128-2129][IzvestiyaAkademiNauk,SeriyaKhimicheskaya,1992,#11,p.2683-2685]

[2]Bumagin;Sukhomlinova;Tolstaya;Beletskaya[RussianJournalofOrganicChemistry,1996,vol.32,#11,p.1672-1676]

[3]Bumagin;Sukhomlinova;Tolstaya;Beletskaya[RussianJournalofOrganicChemistry,1996,vol.32,#11,p.1672-1676]

937-01-9   
bis(3-nitrophenyl)iodoniumtetrafluoroborate 
  952-03-4 

[1]Bumagin,N.A.;Sukhomlinova,L.I.;Igushkina,S.O.;Banchikov,A.N.;Tolstaya,T.P.;Beletskaya,I.P.[Bull.Russ.Acad.Sci.Div.Chem.Sci.(Engl.Transl.),1992,vol.41,#11.2,p.2128-2129][IzvestiyaAkademiNauk,SeriyaKhimicheskaya,1992,#11,p.2683-2685]

[1]Goossen;Paetzold[AdvancedSynthesisandCatalysis,2004,vol.346,#13-15,p.1665-1668]

[1]Rohilla,Sandeep;Pant,Pradeep;Jain,Nidhi[RSCAdvances,2015,vol.5,#40,p.31311-31317]

[2]Locationinpatent:experimentalpartSuryadevara,PraveenKumar;Olepu,Srinivas;Lockman,JeffreyW.;Ohkanda,Junko;Karimi,Mandana;Verlinde,ChristopheL.M.J.;Kraus,JamesM.;Schoepe,Jan;VanVoorhis,WesleyC.;Hamilton,AndrewD.;Buckner,FrederickS.;Gelb,MichaelH.[JournalofMedicinalChemistry,2009,vol.52,#12,p.3703-3715]

Literature
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