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Home Nitro Compounds 96784-54-2
96784-54-2,MFCD00017615
Catalog No.:AA003JNC

96784-54-2 | 3-Methyl-4-nitrobenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$6.00   $4.00
- +
1g
97%
in stock  
$22.00   $15.00
- +
5g
95%
in stock  
$59.00   $41.00
- +
25g
97%
in stock  
$236.00   $165.00
- +
100g
95%
in stock  
$809.00   $567.00
- +
  • 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:
AA003JNC
Chemical Name:
3-Methyl-4-nitrobenzonitrile
CAS Number:
96784-54-2
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD00017615
SMILES:
N#Cc1ccc(c(c1)C)[N+](=O)[O-]
Properties
Properties
 
BP:
322.2 °C at 760 mmHg  
Form:
Solid  
MP:
81-83 °C  
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:
2.6  

Upstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2003,vol.13,#3,p.561-566

[2]JournalofOrganicChemistry,1953,vol.18,p.345,356

[1]Patent:WO2014/172871,2014,A1,.Locationinpatent:Page/Pagecolumn88

[2]JustusLiebigsAnnalenderChemie,1867,vol.144,p.182

[3]JournaloftheChemicalSociety,PerkinTransactions1:OrganicandBio-OrganicChemistry(1972-1999),1973,p.2940-2948

[4]Patent:US5034410,1991,A,

[1]Patent:EP655439,1995,A2,

[1]JournalofMedicinalChemistry,1997,vol.40,#18,p.2843-2857

[2]JustusLiebigsAnnalenderChemie,1867,vol.144,p.182

[3]Patent:WO2014/172871,2014,A1,

[1]Patent:WO2014/172871,2014,A1,

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1999,vol.42,p.3572-3587

[2]Patent:US2017/44373,2017,A1.Locationinpatent:Paragraph0227;0228

[3]Patent:US6353006,2002,B1.Locationinpatent:Pagecolumn23

[4]Patent:US2005/54655,2005,A1.Locationinpatent:Page/Pagecolumn15

[5]Patent:US2004/44203,2004,A1.Locationinpatent:Page27

[6]Patent:US2019/55218,2019,A1.Locationinpatent:Paragraph0307;0308;0309

[7]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.3072-3076

[8]JournalofMedicinalChemistry,1991,vol.34,p.3295-3301

[9]ChemischeBerichte,1919,vol.52,p.1083

[10]Patent:US6034093,2000,A

[11]Patent:US6034093,2000,A

[12]Patent:US5731315,1998,A

[13]Patent:US5034410,1991,A

[1]LiebigsAnnalenderChemie,1984,vol.1984,p.409-425

[1]LiebigsAnnalenderChemie,1984,vol.1984,p.409-425

7647-01-0    96784-54-2   
tindichloride 
  78881-21-7 

[1]ChemischeBerichte,1919,vol.52,p.1083

[1]OrganicandBiomolecularChemistry,2003,vol.1,p.2326-2335

Literature
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