Home Nitriles 4-Nitrobenzonitrile

4-Nitrobenzonitrile

CAS No.:
619-72-7
Catalog Number:
AG00IAXW
Molecular Formula:
C7H4N2O2
Molecular Weight:
148.1189
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%(GC)
In Stock USA
United States
$50
- +
25g
98%(GC)
In Stock USA
United States
$72
- +
100g
98%(GC)
In Stock USA
United States
$168
- +
Product Description
Catalog Number:
AG00IAXW
Chemical Name:
4-Nitrobenzonitrile
CAS Number:
619-72-7
Molecular Formula:
C7H4N2O2
Molecular Weight:
148.1189
MDL Number:
MFCD00007279
IUPAC Name:
4-nitrobenzonitrile
InChI:
InChI=1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H
InChI Key:
NKJIFDNZPGLLSH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)[N+](=O)[O-]
EC Number:
210-610-0
NSC Number:
5383
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.027g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.121g/mol
Monoisotopic Mass:
148.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Preparation of a family of hexanuclear rhenium cluster complexes containing 5-(phenyl)tetrazol-2-yl ligands and alkylation of 5-substituted tetrazolate ligands. Inorganic chemistry 20120716
Investigation into the regiochemistry of some isoxazoles derived from 1,3-dipolar cycloaddition of 4-nitrobenzonitrile oxide with some dipolarophiles: a combined theoretical and experimental studies. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110901
Release of nitrite from the antitubercular nitroimidazole drug PA-824 and analogues upon one-electron reduction in protic, non-aqueous solvent. Organic & biomolecular chemistry 20100121
Anchoring of a single molecular rotor and its array on metal surfaces using molecular design and self-assembly. International journal of molecular sciences 20100101
Effect of natural organic matter on the reduction of nitroaromatics by Fe(II) species. Environmental science & technology 20080901
Ferric hydroxide supported gold subnano clusters or quantum dots: enhanced catalytic performance in chemoselective hydrogenation. Dalton transactions (Cambridge, England : 2003) 20080521
Quantifying the availability of clay surfaces in soils for adsorption of nitrocyanobenzene and diuron. Environmental science & technology 20061215
QSAR study of the reduction of nitroaromatics by Fe(II) species. Environmental science & technology 20060815
Nitroaromatic reduction kinetics as a function of dominant terminal electron acceptor processes in natural sediments. Environmental science & technology 20060401
Properties