Home Nitro Compounds 952-21-6
952-21-6,MFCD00452721
Catalog No.:AA006OI5

952-21-6 | 1-Methyl-3-(4-nitrophenyl)benzene

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1g
≥ 97 %
2 weeks  
$306.00   $214.00
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5g
≥ 97 %
2 weeks  
$711.00   $498.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA006OI5
Chemical Name:
1-Methyl-3-(4-nitrophenyl)benzene
CAS Number:
952-21-6
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD00452721
SMILES:
Cc1cccc(c1)c1ccc(cc1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
241  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
4.2  

Downstream Synthesis Route

[1]Kashin,N.A.;Bumagina,I.G.;Bumagin,N.A.;Beletskaya,I.P.[JournalofOrganicChemistryUSSR(EnglishTranslation),1981,vol.17,#1,p.18-24][ZhurnalOrganicheskoiKhimii,1981,vol.17,#1,p.21-28]

[1]Qian,Yimin;Vogt,Andreas;Sebti,SaïdM.;Hamilton,AndrewD.[JournalofMedicinalChemistry,1996,vol.39,#1,p.217-223]

[2]CurrentPatentAssignee:COMMONWEALTHSYSTEMOFHIGHEREDUCATION-US5965539,1999,A

[3]CurrentPatentAssignee:COMMONWEALTHSYSTEMOFHIGHEREDUCATION-US6011175,2000,A

[4]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2006/223837,2006,A1Locationinpatent:Page/Pagecolumn29-30

[1]JournaloftheAmericanChemicalSociety,2012,vol.134,p.19997-20000

Literature
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SDS
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Tags:952-21-6 Molecular Formula|952-21-6 MDL|952-21-6 SMILES|952-21-6 1-Methyl-3-(4-nitrophenyl)benzene