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Home Nitriles Naphthalene-1,4-dicarbonitrile

Naphthalene-1,4-dicarbonitrile

CAS No.:
3029-30-9
Catalog Number:
AG002ZHA
Molecular Formula:
C12H6N2
Molecular Weight:
178.1894
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(GC)
1 week
United States
$232
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Product Description
Catalog Number:
AG002ZHA
Chemical Name:
Naphthalene-1,4-dicarbonitrile
CAS Number:
3029-30-9
Molecular Formula:
C12H6N2
Molecular Weight:
178.1894
MDL Number:
MFCD03093626
IUPAC Name:
naphthalene-1,4-dicarbonitrile
InChI:
InChI=1S/C12H6N2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-6H
InChI Key:
BENSWQOUPJQWMU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1cccc2)C#N
EC Number:
221-197-1
NSC Number:
128542
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.194g/mol
Monoisotopic Mass:
178.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Influence of solvent, electron acceptors and arenes on photochemical decarboxylation of free carboxylic acids via single electron transfer (SET). Molecules (Basel, Switzerland) 20100412
Photoinduced electron transfer in coaggregates of dicyanonaphthalene and pyrazoline. The journal of physical chemistry. A 20080320
Efficiencies of singlet oxygen production and rate constants for oxygen quenching in the S1 state of dicyanonaphthalenes and related compounds. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20080101
Properties