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86999-29-3,MFCD06654838
Catalog No.:AA00GTJ0

86999-29-3 | (5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$412.00   $288.00
- +
5g
95%
in stock  
$1,642.00   $1,149.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00GTJ0
Chemical Name:
(5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile
CAS Number:
86999-29-3
Molecular Formula:
C10H8N4
Molecular Weight:
184.1973
MDL Number:
MFCD06654838
SMILES:
N#CCc1nnc([nH]1)c1ccccc1
NSC Number:
679486
Properties
Computed Properties
 
Complexity:
226  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.3  

Downstream Synthesis Route

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP1717238,2006,A1Locationinpatent:Page/Pagecolumn55

[1]Patent:EP1717238,2006,A1.Locationinpatent:Page/Pagecolumn55

[2]Patent:EP1717238,2006,A1.Locationinpatent:Page/Pagecolumn56

Literature
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Additional Info:
SDS
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Tags:86999-29-3 Molecular Formula|86999-29-3 MDL|86999-29-3 SMILES|86999-29-3 (5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile