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Home Nitro Compounds 64113-86-6
64113-86-6,MFCD00267507
Catalog No.:AA00EJRM

64113-86-6 | 5-Methyl-2-nitrobenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$29.00   $20.00
- +
5g
96%
in stock  
$62.00   $44.00
- +
25g
96%
in stock  
$162.00   $113.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00EJRM
Chemical Name:
5-Methyl-2-nitrobenzonitrile
CAS Number:
64113-86-6
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD00267507
SMILES:
N#Cc1cc(C)ccc1[N+](=O)[O-]
Properties
Properties
 
Form:
Solid  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
225  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
XLogP3:
1.8  

Upstream Synthesis Route

[1]ChemischeBerichte,1905,vol.38,p.3555

[1]ChemischeBerichte,1905,vol.38,p.3555

[1]Patent:US2008/306053,2008,A1,.Locationinpatent:Page/Pagecolumn60

[2]Tetrahedron,1994,vol.50,#18,p.5515-5525

[3]Patent:US2004/92739,2004,A1,.Locationinpatent:Page4

[4]JournalofHeterocyclicChemistry,1987,vol.24,#2,p.345-349

[5]ChemischeBerichte,1905,vol.38,p.3555

[6]JournalofOrganicChemistry,1978,vol.43,#2,p.220-224

[7]JournalofMedicinalChemistry,2016,vol.59,#3,p.892-913

[1]ChemischeBerichte,1905,vol.38,p.3555

[1]ChemischeBerichte,1905,vol.38,p.3555

Downstream Synthesis Route
110-89-4    64113-86-6    100-52-7   
4-nitro-stilbene-3-carbonitrile 

[1]ChemischeBerichte,1905,vol.38,p.3555

[1]Patent:US2008/306053,2008,A1.Locationinpatent:Page/Pagecolumn60

[2]Tetrahedron,1994,vol.50,p.5515-5525

[3]Patent:US2004/92739,2004,A1.Locationinpatent:Page4

[4]JournalofHeterocyclicChemistry,1987,vol.24,p.345-349

[5]ChemischeBerichte,1905,vol.38,p.3555

[6]JournalofOrganicChemistry,1978,vol.43,p.220-224

[7]JournalofMedicinalChemistry,2016,vol.59,p.892-913

[1]ChemischeBerichte,1905,vol.38,p.3555

[1]Patent:US2004/92739,2004,A1.Locationinpatent:Page4

[2]Patent:US2009/253719,2009,A1.Locationinpatent:Page/Pagecolumn19-20

[3]Tetrahedron,1994,vol.50,p.5515-5525

[4]MedicinalChemistryResearch,1999,vol.9,p.176-185

[5]Patent:US2010/260825,2010,A1.Locationinpatent:Page/Pagecolumn4

[6]JournalofMedicinalChemistry,2016,vol.59,p.892-913

[1]JournaloftheAmericanChemicalSociety,1980,vol.102,p.2167-2176

Literature
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