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Home Nitriles 1H-1,2,3-triazole-4,5-dicarbonitrile

1H-1,2,3-triazole-4,5-dicarbonitrile

CAS No.:
53817-16-6
Catalog Number:
AG00DY8O
Molecular Formula:
C4HN5
Molecular Weight:
119.0842
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$419
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Product Description
Catalog Number:
AG00DY8O
Chemical Name:
1H-1,2,3-triazole-4,5-dicarbonitrile
CAS Number:
53817-16-6
Molecular Formula:
C4HN5
Molecular Weight:
119.0842
MDL Number:
MFCD13193135
IUPAC Name:
2H-triazole-4,5-dicarbonitrile
InChI:
InChI=1S/C4HN5/c5-1-3-4(2-6)8-9-7-3/h(H,7,8,9)
InChI Key:
IVANFNGOSJTZFM-UHFFFAOYSA-N
SMILES:
N#Cc1[nH]nnc1C#N
EC Number:
258-800-2
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.023g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
119.087g/mol
Monoisotopic Mass:
119.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
Metal salts of the 4,5-dicyano-2H-1,2,3-triazole anion ([C4N5]-). Dalton transactions (Cambridge, England : 2003) 20120407
Synthesis and characterization of 4,5-dicyano-2H-1,2,3-triazole and its sodium, ammonium, and guanidinium salts. Inorganic chemistry 20090216
4,5-dicyano-1H-[1,2,3]-triazole as a proton transport facilitator for polymer electrolyte membrane fuel cells. Journal of the American Chemical Society 20070227
Properties