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874-86-2,MFCD00015443
Catalog No.:AA003K45

874-86-2 | 4-(Chloromethyl)benzonitrile

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25g
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$23.00   $16.00
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500g
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  • 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:
AA003K45
Chemical Name:
4-(Chloromethyl)benzonitrile
CAS Number:
874-86-2
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
MDL Number:
MFCD00015443
SMILES:
ClCc1ccc(cc1)C#N
Properties
Properties
 
BP:
263 °C  
Form:
Solid  
MP:
77 °C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
139  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2  

Upstream Synthesis Route

[1]JournaloftheChemicalSociety,1942,p.103,107

[1]Patent:CN107573259,2018,A,.Locationinpatent:Paragraph0133-0137

[2]TetrahedronLetters,2016,vol.57,#24,p.2620-2623

[1]Synthesis,2010,#5,p.882-891

[2]JournalofOrganometallicChemistry,1987,vol.329,p.349-356

[1]Patent:US6187945,2001,B1,

[1]TetrahedronLetters,1988,vol.29,#45,p.5783-5786

[2]JournaloftheAmericanChemicalSociety,1925,vol.47,p.2191

[3]TetrahedronLetters,1988,vol.29,#45,p.5783-5786

Downstream Synthesis Route

[1]TetrahedronLetters,1988,vol.29,p.5783-5786

[2]JournaloftheAmericanChemicalSociety,1925,vol.47,p.2191

[3]TetrahedronLetters,1988,vol.29,p.5783-5786

[1]CurrentPatentAssignee:Majert-DE82924[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.4,p.1275][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.4,p.1275]

[1]ChemischeBerichte,1889,vol.22,p.3208

699-04-7    874-86-2   
4-methyl-(4-methyl-benzyl)-amino-methyl}-benzonitrile 

[1]JournaloftheAmericanChemicalSociety,1950,vol.72,p.3410,3411,3413

[1]ChemischeBerichte,1889,vol.22,p.3208

Literature

Title: 2-(4-Chloro-phen-yl)acetamide.

Journal: Acta crystallographica. Section E, Structure reports online 20111201

Title: Stabilities of ion/radical adducts in the liquid phase as derived from the dependence of electrochemical cleavage reactivities upon solvent.

Journal: Journal of the American Chemical Society 20011205

Title: Stepwise and concerted pathways in photoinduced and thermal electron-transfer/bond-breaking reactions. experimental illustration of similarities and contrasts.

Journal: Journal of the American Chemical Society 20010530

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SDS
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