U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H4N2
Molecular Weight 128.1308
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-PHTHALODINITRILE

SMILES

N#CC1=CC=CC=C1C#N

InChI

InChIKey=XQZYPMVTSDWCCE-UHFFFAOYSA-N
InChI=1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H

HIDE SMILES / InChI

Molecular Formula C8H4N2
Molecular Weight 128.1308
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Solid-state density functional theory investigation of the terahertz spectra of the structural isomers 1,2-dicyanobenzene and 1,3-dicyanobenzene.
2010-12-02
Novel metal complexes containing a chiral trinitrogen isoindoline-based pincer ligand: in situ synthesis and structural characterization.
2010-11-28
Novel ball-type four dithioerythritol bridged metallophthalocyanines and their water-soluble derivatives: Synthesis and characterization, and electrochemical, electrocatalytic, electrical and gas sensing properties.
2010-11-07
Scrutinizing the chemical nature and photophysics of an expanded hemiporphyrazine: the special case of [30]trithia-2,3,5,10,12,13,15,20,22,23,25,30-dodecaazahexaphyrin.
2010-09-22
Synthesis and characterization of monoisomeric 1,8,15,22-substituted (A3B and A2B2) phthalocyanines and phthalocyanine-fullerene dyads.
2010-08-06
Stepwise in situ synthesis and characterization of metallophthalocyanines@mesoporous matrix SBA-15 composites.
2010-05-21
Inadvertent polychlorinated biphenyls in commercial paint pigments.
2010-04-15
Preparation and in vitro photodynamic activity of amphiphilic zinc(II) phthalocyanines substituted with 2-(dimethylamino)ethylthio moieties and their N-alkylated derivatives.
2010-04-01
Lanthanide(III) bis(phthalocyaninato)-[60]fullerene dyads: synthesis, characterization, and photophysical properties.
2010-01-04
Synthesis, characterization, and electrocatalytic and electrical properties of novel ball-type four cyclopentyldisilanoxy-POSS bridged metallophthalocyanines.
2009-12-14
Synthesis and in vitro photodynamic activities of di-alpha-substituted zinc(ii) phthalocyanine derivatives.
2009-06-07
1,2-Bis(1H-tetra-zol-5-yl)benzene dihydrate.
2009-05-20
4-{2-Meth-oxy-6-[(4-methyl-phen-yl)imino-meth-yl]phen-oxy}phthalonitrile.
2009-04-30
Effects of the number and position of the substituents on the in vitro photodynamic activities of glucosylated zinc(II) phthalocyanines.
2009-04-21
(E)-4-{2-[(4-Chloro-phen-yl)imino-meth-yl]phen-oxy}phthalonitrile.
2009-04-10
Modular synthesis of oxazolines and their derivatives.
2009-03-09
A novel modular approach to triazole-functionalized phthalocyanines using click chemistry.
2009-01-02
[Kinetic study on the in situ synthesis of nickle phthalocyanine in silica gel glass matrix by UV/Vis absorption spectra].
2009-01
Highly photocytotoxic 1,4-dipegylated zinc(II) phthalocyanines. Effects of the chain length on the in vitro photodynamic activities.
2008-12-21
4-(2-Chloro-ethoxy)phthalonitrile.
2008-11-13
Glycosylated zinc(II) phthalocyanines as efficient photosensitisers for photodynamic therapy. Synthesis, photophysical properties and in vitro photodynamic activity.
2008-06-21
Synthesis, characterization and nonlinear absorption of novel octakis-POSS substituted metallophthalocyanines and strong optical limiting property of CuPc.
2008-05-14
2-(1H-Tetra-zol-5-yl)benzonitrile.
2008-04-10
3-(m-Tol-yloxy)phthalonitrile.
2008-01-09
Synthesis, Characterization, and In Vitro Photodynamic Activity of Novel Amphiphilic Zinc(II) Phthalocyanines Bearing Oxyethylene-Rich Substituents.
2008
3,4-Dicyano-phenyl 2,3,4,6-tetra-O-acetyl-α-d-glucopyran-oside.
2007-12-06
Beyond classical coordination: silver-pi interactions in metal dipyrrin complexes.
2007-06-14
Dielectric spectroscopy analysis in employing liquid crystal phthalonitrile derivative in nematic liquid crystals.
2007-06
Tetraazachlorin-fullerene conjugates: on-off control of electronic communication enabled by push-pull substituents.
2007-05-02
In situ monitoring of the synthesis of a pyranine-substituted phthalonitrile derivative via the steady-state fluorescence technique.
2007-01-18
Porphyrin-appended europium(III) bis(phthalocyaninato) complexes: synthesis, characterization, and photophysical properties.
2007
Unsymmetrical Ni(II)-imidoylamidine complexes derived from a novel oxime-mediated single-pot reaction of nitriles.
2007
Synthesis and photochemical properties of a bis(n-Hexanoyl)silicon tribenzonaphthoporphyrazate.
2006-10
Racemic iron(III) and cobalt(III) complexes containing a new pentadentate "helmet" phthalocyaninato ligand.
2006-08-21
Tetrakis[phthalocyaninato(2-)antimony(III)] docosaiodohexaantimony(III).
2006-07
Bis{[phthalocyaninato(2-)]arsenic(III)} octaiododiarsenic(III).
2006-02
Cd(II), Zn(II), and Pd(II) complexes of an isoindoline pincer ligand: consequences of steric crowding.
2005-09-05
Synthesis and electrochemical and photophysical studies of tetrathiafulvalene-annulated phthalocyanines.
2005-06-24
The fixation of bis(2-pyridylimino)isoindolato (BPI) ligands to dendritic carbosilanes.
2005-04-21
An efficient synthesis of phthalocyanines based on an unprecedented double-addition of oximes to phthalonitriles.
2004-11-24
Synthesis, structural investigation, and solid-state properties of iodine-doped zirconium diphthalocyanine, [ZrPc2]I3.I2.
2003-06-02
Two isomorphous complexes: dichloro[phthalocyaninato(2-)]tin(IV) and dichloro[phthalocyaninato(2-)]germanium(IV).
2003-06
Domino reactions of 4,5-dicyanopyridazine with dihydroheterocycles: synthetic and mechanistic features.
2003-04-18
Bis([phthalocyaninato(2-)]arsenic(III)) tetradecaiodotetra-arsenic(III).
2003-02
Naphthalene in the higher triplet excited state.
2003-01-21
One-dimensional assembling of diiodo[phthalocyaninato(1-)] chromate(III) molecules through neutral I(2) molecules. Alternating ferro- and antiferromagnetic interactions in the metal-radical system.
2002-10-07
Tetrakis[phthalocyaninato(2-)antimony(III)] hexadecaiodotetraantimony(III).
2002-01
Iodo(phthalocyaninato)chromium(III).
2001-08
[Phthalocyaninato(2-)]antimony(III) chloride.
2001-01
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:52:56 GMT 2025
Edited
by admin
on Mon Mar 31 18:52:56 GMT 2025
Record UNII
978627YAJU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-PHTHALODINITRILE
Common Name English
NSC-17562
Preferred Name English
1,2-BENZENEDICARBONITRILE [HSDB]
Common Name English
1,2-BIS(CYANO)BENZENE
Systematic Name English
O-DICYANOBENZENE
Common Name English
O-CYANOBENZONITRILE
Common Name English
PHTHALIC ACID DINITRILE
Common Name English
PHTHALODINITRILE
Common Name English
1,2-BENZODINITRILE
Common Name English
O-BENZENEDICARBONITRILE
Common Name English
O-BENZENEDINITRILE
Common Name English
1,2-DICYANOBENZENE
Systematic Name English
PHTHALONITRILE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID8029604
Created by admin on Mon Mar 31 18:52:56 GMT 2025 , Edited by admin on Mon Mar 31 18:52:56 GMT 2025
PRIMARY
ECHA (EC/EINECS)
202-044-8
Created by admin on Mon Mar 31 18:52:56 GMT 2025 , Edited by admin on Mon Mar 31 18:52:56 GMT 2025
PRIMARY
NSC
17562
Created by admin on Mon Mar 31 18:52:56 GMT 2025 , Edited by admin on Mon Mar 31 18:52:56 GMT 2025
PRIMARY
FDA UNII
978627YAJU
Created by admin on Mon Mar 31 18:52:56 GMT 2025 , Edited by admin on Mon Mar 31 18:52:56 GMT 2025
PRIMARY
HSDB
5273
Created by admin on Mon Mar 31 18:52:56 GMT 2025 , Edited by admin on Mon Mar 31 18:52:56 GMT 2025
PRIMARY
WIKIPEDIA
Phthalonitrile
Created by admin on Mon Mar 31 18:52:56 GMT 2025 , Edited by admin on Mon Mar 31 18:52:56 GMT 2025
PRIMARY
PUBCHEM
7042
Created by admin on Mon Mar 31 18:52:56 GMT 2025 , Edited by admin on Mon Mar 31 18:52:56 GMT 2025
PRIMARY
CAS
91-15-6
Created by admin on Mon Mar 31 18:52:56 GMT 2025 , Edited by admin on Mon Mar 31 18:52:56 GMT 2025
PRIMARY