Home Nitriles 4-Nitrophthalonitrile

4-Nitrophthalonitrile

CAS No.:
31643-49-9
Catalog Number:
AG0034AZ
Molecular Formula:
C8H3N3O2
Molecular Weight:
173.1283
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$32
- +
100g
98%
In Stock USA
United States
$100
- +
500g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG0034AZ
Chemical Name:
4-Nitrophthalonitrile
CAS Number:
31643-49-9
Molecular Formula:
C8H3N3O2
Molecular Weight:
173.1283
MDL Number:
MFCD00040301
IUPAC Name:
4-nitrobenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H
InChI Key:
NTZMSBAAHBICLE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1C#N)[N+](=O)[O-]
EC Number:
250-748-9
NSC Number:
123374
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.023g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.131g/mol
Monoisotopic Mass:
173.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Synthesis, interface (Au/M2Pc2/p-Si), electrochemical and electrocatalytic properties of novel ball-type phthalocyanines. Dalton transactions (Cambridge, England : 2003) 20120707
Photovoltaic and electrocatalytic properties of novel ball-type phthalocyanines bridged with four dicumarol. Dalton transactions (Cambridge, England : 2003) 20120507
Phthalocyanine with a giant dielectric constant. Dalton transactions (Cambridge, England : 2003) 20120407
4-{4-[(E)-(2-Hy-droxy-phen-yl)imino-methyl]phen-oxy}benzene-1,2-di-carbo-nitrile. Acta crystallographica. Section E, Structure reports online 20120301
4-(Furan-2-ylmeth-oxy)benzene-1,2-dicarbonitrile. Acta crystallographica. Section E, Structure reports online 20120101
4-[2-(Cyclo-hexa-1,4-dien-1-yl)eth-oxy]benzene-1,2-dicarbonitrile. Acta crystallographica. Section E, Structure reports online 20111101
Synthesis and characterization, novel across adjacent ring formed phthalocyanine. Dalton transactions (Cambridge, England : 2003) 20110121
Novel ball-type four dithioerythritol bridged metallophthalocyanines and their water-soluble derivatives: Synthesis and characterization, and electrochemical, electrocatalytic, electrical and gas sensing properties. Dalton transactions (Cambridge, England : 2003) 20101107
Synthesis, characterization, and electrocatalytic and electrical properties of novel ball-type four cyclopentyldisilanoxy-POSS bridged metallophthalocyanines. Dalton transactions (Cambridge, England : 2003) 20091214
(E)-4-{2-[(4-Chloro-phen-yl)imino-meth-yl]phen-oxy}phthalonitrile. Acta crystallographica. Section E, Structure reports online 20090501
4-{2-Meth-oxy-6-[(4-methyl-phen-yl)imino-meth-yl]phen-oxy}phthalonitrile. Acta crystallographica. Section E, Structure reports online 20090501
Electrochemical investigations of the reaction mechanism and kinetics between NADH and redox-active (NC)2C6H3-NHOH/(NC)2C6H3-NO from 4-nitrophthalonitrile-(NC)2C6H3-NO2-modified electrode. Biosensors & bioelectronics 20081115
Glycosylated zinc(II) phthalocyanines as efficient photosensitisers for photodynamic therapy. Synthesis, photophysical properties and in vitro photodynamic activity. Organic & biomolecular chemistry 20080621
Synthesis, Characterization, and In Vitro Photodynamic Activity of Novel Amphiphilic Zinc(II) Phthalocyanines Bearing Oxyethylene-Rich Substituents. Metal-based drugs 20080101
Synthesis and photophysical properties of tetra- and octasubstituted phosphorous oxide triazatetrabenzcorrole photosensitizers. Metal-based drugs 20080101
3,4-Dicyano-phenyl 2,3,4,6-tetra-O-acetyl-α-d-glucopyran-oside. Acta crystallographica. Section E, Structure reports online 20080101
In situ monitoring of the synthesis of a pyranine-substituted phthalonitrile derivative via the steady-state fluorescence technique. The journal of physical chemistry. B 20070118
The fixation of bis(2-pyridylimino)isoindolato (BPI) ligands to dendritic carbosilanes. Dalton transactions (Cambridge, England : 2003) 20050421
Synthesis and photodynamic activity of zinc(II) phthalocyanine derivatives bearing methoxy and trifluoromethylbenzyloxy substituents in homogeneous and biological media. Bioorganic & medicinal chemistry 20050103
Properties