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62584-32-1,MFCD04115989
Catalog No.:AA003B43

62584-32-1 | 2-Chloro-3-(trifluoromethyl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$19.00   $14.00
- +
1g
95%
in stock  
$54.00   $38.00
- +
5g
95%
in stock  
$213.00   $149.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003B43
Chemical Name:
2-Chloro-3-(trifluoromethyl)benzonitrile
CAS Number:
62584-32-1
Molecular Formula:
C8H3ClF3N
Molecular Weight:
205.5643
MDL Number:
MFCD04115989
SMILES:
N#Cc1cccc(c1Cl)C(F)(F)F
Properties
Properties
 
BP:
243°C at 760 mmHg  
Form:
Solid  
MP:
38-41℃  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
229  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
XLogP3:
3.2  

Downstream Synthesis Route

[1]Nelson,DerekW.;Gregg,RobertJ.;Kort,MichaelE.;Perez-Medrano,Arturo;Voight,EricA.;Wang,Ying;Grayson,George;Namovic,MarianT.;Donnelly-Roberts,DianaL.;Niforatos,Wende;Honore,Prisca;Jarvis,MichaelF.;Faltynek,ConnieR.;Carroll,WilliamA.[JournalofMedicinalChemistry,2006,vol.49,#12,p.3659-3666]

[1]Nelson,DerekW.;Gregg,RobertJ.;Kort,MichaelE.;Perez-Medrano,Arturo;Voight,EricA.;Wang,Ying;Grayson,George;Namovic,MarianT.;Donnelly-Roberts,DianaL.;Niforatos,Wende;Honore,Prisca;Jarvis,MichaelF.;Faltynek,ConnieR.;Carroll,WilliamA.[JournalofMedicinalChemistry,2006,vol.49,#12,p.3659-3666]

[2]CurrentPatentAssignee:ABBOTTLABORATORIESINC-WO2006/86229,2006,A1Locationinpatent:Page/Pagecolumn69-70

[1]Nelson,DerekW.;Gregg,RobertJ.;Kort,MichaelE.;Perez-Medrano,Arturo;Voight,EricA.;Wang,Ying;Grayson,George;Namovic,MarianT.;Donnelly-Roberts,DianaL.;Niforatos,Wende;Honore,Prisca;Jarvis,MichaelF.;Faltynek,ConnieR.;Carroll,WilliamA.[JournalofMedicinalChemistry,2006,vol.49,#12,p.3659-3666]

62584-32-1   
3-({5-2-chloro-3-(trifluoromethyl)phenyl-1H-tetraazol-1-yl}methyl)pyridine 

[1]Nelson,DerekW.;Gregg,RobertJ.;Kort,MichaelE.;Perez-Medrano,Arturo;Voight,EricA.;Wang,Ying;Grayson,George;Namovic,MarianT.;Donnelly-Roberts,DianaL.;Niforatos,Wende;Honore,Prisca;Jarvis,MichaelF.;Faltynek,ConnieR.;Carroll,WilliamA.[JournalofMedicinalChemistry,2006,vol.49,#12,p.3659-3666]

Literature
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