Home Nitro Compounds 53812-68-3
53812-68-3,MFCD02246594
Catalog No.:AA00DAYD

53812-68-3 | 1-Methyl-4-(3-nitrophenyl)benzene

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1g
98%
in stock  
$211.00   $148.00
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5g
98%
in stock  
$610.00   $427.00
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10g
98%
in stock  
$1,009.00   $706.00
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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:
AA00DAYD
Chemical Name:
1-Methyl-4-(3-nitrophenyl)benzene
CAS Number:
53812-68-3
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD02246594
SMILES:
Cc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;  

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]Jarvis,Ashley;Allerston,CharlesK.;Jia,Haiyan;Herzog,Birger;Garza-Garcia,Acely;Winfield,Natalie;Ellard,Katie;Aqil,Rehan;Lynch,Rosemary;Chapman,Chris;Hartzoulakis,Basil;Nally,James;Stewart,Mark;Cheng,Lili;Menon,Malini;Tickner,Michelle;Djordjevic,Snezana;Driscoll,PaulC.;Zachary,Ian;Selwood,DavidL.[JournalofMedicinalChemistry,2010,vol.53,#5,p.2215-2226]

[2]Makarowaetal.[IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1958,p.1452,1457;engl.Ausg.S.1399,1404]

[1]Tetrahedron,2001,vol.57,p.7845-7855

[1]Sarvi,Iraj;Gholizadeh,Mostafa;Izadyar,Mohammad[CatalysisLetters,2017,vol.147,#5,p.1162-1171]

[2]Lamei,Kamran;Eshghi,Hossein;Bakavoli,Mehdi;Rostamnia,Sadegh[AppliedOrganometallicChemistry,2017,vol.31,#11]

[3]Appa,RamaMoorhy;Prasad,S.Siva;Lakshmidevi,Jangam;Naidu,BandameedaRamesh;Narasimhulu,Manchala;Venkateswarlu,Katta[AppliedOrganometallicChemistry,2019,vol.33,#10]

[4]Lamei,Kamran;Eshghi,Hossein;Bakavoli,Mehdi;Rounaghi,SeyyedAmin;Esmaeili,Elaheh[CatalysisCommunications,2017,vol.92,p.40-45]

[5]Ma'Mani,Leila;Miri,Simin;Mahdavi,Mohammad;Bahadorikhalili,Saeed;Lotfi,Elham;Foroumadi,Alireza;Shafiee,Abbas[RSCAdvances,2014,vol.4,#89,p.48613-48620]

[6]Locationinpatent:experimentalpartSenapati,KulaKamal;Roy,Subhasish;Borgohain,Chandan;Phukan,Prodeep[JournalofMolecularCatalysisA:Chemical,2012,vol.352,p.128-134]

[7]Hyotanishi,Megumi;Isomura,Yuto;Yamamoto,Hiroko;Kawasaki,Hideya;Obora,Yasushi[ChemicalCommunications,2011,vol.47,#20,p.5750-5752]

[8]Baxendale,IanR.;Griffiths-Jones,CharlotteM.;Ley,StevenV.;Tranmer,GeoffreyK.[Chemistry-AEuropeanJournal,2006,vol.12,#16,p.4407-4416]

[9]Miri,SeyedehSimin;Khoobi,Mehdi;Ashouri,Fatemeh;Jafarpour,Farnaz;RashidiRanjbar,Parviz;Shafiee,Abbas[TurkishJournalofChemistry,2015,vol.39,#6,p.1232-1246]

[1]Tetrahedron,2008,vol.64,p.5762-5772

[1]Locationinpatent:schemeortableGoossen,LukasJ.;Rodriguez,Nuria;Linder,Christophe[JournaloftheAmericanChemicalSociety,2008,vol.130,#46,p.15248-15249]

Literature
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SDS
Tags:53812-68-3 Molecular Formula|53812-68-3 MDL|53812-68-3 SMILES|53812-68-3 1-Methyl-4-(3-nitrophenyl)benzene