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22821-76-7,MFCD00216489
Catalog No.:AA003K6J

22821-76-7 | 4-(Methylsulfonyl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$16.00   $11.00
- +
5g
98%
in stock  
$21.00   $15.00
- +
25g
98%
in stock  
$37.00   $26.00
- +
100g
98%
in stock  
$142.00   $100.00
- +
  • 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:
AA003K6J
Chemical Name:
4-(Methylsulfonyl)benzonitrile
CAS Number:
22821-76-7
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD00216489
SMILES:
N#Cc1ccc(cc1)S(=O)(=O)C
Properties
Properties
 
BP:
385.8°C at 760 mmHg  
Form:
Solid  
MP:
137-142 °C  
Refractive Index:
1.5650 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
285  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
1  
XLogP3:
0.9  

Upstream Synthesis Route

[1]Tetrahedron,2011,vol.67,#42,p.8183-8186

[1]JournaloftheAmericanChemicalSociety,1993,vol.115,#17,p.7584-7592

Downstream Synthesis Route
110-89-4    22821-76-7   
1-(4-methanesulfonyl-benzimidoyl)-piperidine 

[1]JournaloftheChemicalSociety,1947,p.1110,1116    JournaloftheChemicalSociety,1948,p.303,305

504-29-0    22821-76-7   
4-methanesulfonyl-<i>N</i>-2pyridyl-benzamidine 

[1]JournaloftheChemicalSociety,1947,p.1110,1116    JournaloftheChemicalSociety,1948,p.303,305

[1]BulletindelaSocieteChimiquedeFrance,1946,p.139,142

[2]JournaloftheChemicalSociety,1947,p.1110,1116    JournaloftheChemicalSociety,1948,p.303,305

[1]Synthesis,2018,vol.50,p.2231-2234

[2]JournalofOrganicChemistry,2003,vol.68,p.5388-5391

[3]ElectrochemistryCommunications,2019,vol.109

[4]JournaloftheAmericanChemicalSociety,1993,vol.115,p.7584-7592

[5]Patent:CN109293538,2019,A.Locationinpatent:Paragraph0096-0099

[6]JournalofOrganicChemistry,2015,vol.80,p.5611-5624

[7]GreenChemistry,2020,vol.22,p.433-438

[8]Patent:US2003/225075,2003,A1.Locationinpatent:Page11-12

[9]OrganicandBiomolecularChemistry,2008,vol.6,p.XX745-761

[10]TetrahedronLetters,2014,vol.55,p.1818-1821

[11]BulletindelaSocieteChimiquedeFrance,1946,p.139,142

[12]Patent:EP1270577,2003,A1

[13]GreenChemistry,2012,vol.14,p.957-962

[1]ProceedingsoftheRoyalSocietyofLondon.SeriesB,Biologicalsciences,1946,vol.133,p.20,30

Literature
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