Home Other Building Blocks 1,4-Dicyanobenzene

1,4-Dicyanobenzene

CAS No.:
623-26-7
Catalog Number:
AG003DO6
Molecular Formula:
C8H4N2
Molecular Weight:
128.1308
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003DO6
Chemical Name:
1,4-Dicyanobenzene
CAS Number:
623-26-7
Molecular Formula:
C8H4N2
Molecular Weight:
128.1308
MDL Number:
MFCD00001810
IUPAC Name:
benzene-1,4-dicarbonitrile
InChI:
InChI=1S/C8H4N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H
InChI Key:
BHXFKXOIODIUJO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C#N
EC Number:
210-783-2
UNII:
E6ITH5CIS3
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.037g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.134g/mol
Monoisotopic Mass:
128.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
(2)(∞)[Co{1,4-C6H4(CN)2}2{NTf2}2][SnI{Co(CO)4}3](2)--a 2D coordination network with an intercalated carbonyl cluster. Dalton transactions (Cambridge, England : 2003) 20120721
Electronic excitation spectra of radical anions of cyanoethylenes and cyanobenzenes: symmetry adapted cluster-configuration interaction study. The Journal of chemical physics 20120607
N-Acetyl-N-[2,4-dicyano-1-(4-meth-oxy-phen-yl)-9,10-dihydro-phenanthren-3-yl]acetamide. Acta crystallographica. Section E, Structure reports online 20120401
(Acetyl-acetonato-κO,O')(phthalo-cyaninato-κN)(phen-an-throline-κN,N')erbium(III). Acta crystallographica. Section E, Structure reports online 20120301
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Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline. The journal of physical chemistry. A 20111013
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The first dinitrile frameworks of the rare earth elements: infinity(3)[LnCl3(1,4-Ph(CN)2)] and infinity(3)[Ln2Cl6(1,4-Ph(CN)2)], Ln = Sm, Gd, Tb, Y; access to novel metal-organic frameworks by solvent free synthesis in molten 1,4-benzodinitrile. Inorganic chemistry 20081103
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Ultrafast excited state dynamics of the perylene radical cation generated upon bimolecular photoinduced electron transfer reaction. The journal of physical chemistry. A 20060622
Semi-quantitative immunohistochemical analysis of male rat-specific alpha2u-globulin accumulation for chemical toxicity evaluation. The Journal of toxicological sciences 20060201
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Properties