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91-15-6,MFCD00001771
Catalog No.:AA003DBH

91-15-6 | Phthalonitrile

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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003DBH
Chemical Name:
Phthalonitrile
CAS Number:
91-15-6
Molecular Formula:
C8H4N2
Molecular Weight:
128.1308
MDL Number:
MFCD00001771
SMILES:
N#Cc1ccccc1C#N
NSC Number:
17562
UN Number:
3276
Properties
Properties
 
BP:
304.5 °C  
Form:
Solid  
MP:
137-139 °C(lit.);  
Refractive Index:
1.6231 (estimate)  
Solubility:
benzene: 50 mg/mL, clear  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
178  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
XLogP3:
1  

Literature

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Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121001

Title: Low-temperature THz time domain waveguide spectrometer with butt-coupled emitter and detector crystal.

Journal: Optics express 20120827

Title: Synthesis, interface (Au/M2Pc2/p-Si), electrochemical and electrocatalytic properties of novel ball-type phthalocyanines.

Journal: Dalton transactions (Cambridge, England : 2003) 20120707

Title: Synthesis and photodynamic properties of adamantylethoxy Zn(II) phthalocyanine derivatives in different media and in human red blood cells.

Journal: European journal of medicinal chemistry 20120401

Title: 4-{4-[(E)-(2-Hy-droxy-phen-yl)imino-methyl]phen-oxy}benzene-1,2-di-carbo-nitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20120301

Title: Monoamine oxidase inhibition by C4-substituted phthalonitriles.

Journal: Bioorganic chemistry 20120201

Title: Highly soluble 3,4-(dimethoxyphenylthio) substituted phthalocyanines: synthesis, photophysical and photochemical studies.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120201

Title: Effect of chain length on thermal conversion of alkoxy-substituted copper phthalocyanine precursors.

Journal: Inorganic chemistry 20111121

Title: 4-[2-(Cyclo-hexa-1,4-dien-1-yl)eth-oxy]benzene-1,2-dicarbonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20111101

Title: Bis(2-pyridylimino)isoindolato iron(II) and cobalt(II) complexes: structural chemistry and paramagnetic NMR spectroscopy.

Journal: Dalton transactions (Cambridge, England : 2003) 20111028

Title: Synthesis, characterization, and electrochemical and electrical properties of novel mono and ball-type metallophthalocyanines with four 9,9-bis(4-hydroxyphenyl)fluorene.

Journal: Dalton transactions (Cambridge, England : 2003) 20110407

Title: Synthesis and characterization of near-infrared absorbing benzannulated aza-BODIPY dyes.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20110301

Title: 4,5-Bis(2,4-di-tert-butyl-phen-oxy)phthalonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20110301

Title: Synthetic, spectroscopic, and structural studies on organoimido molybdenum, tungsten, and rhenium phthalocyanines.

Journal: Dalton transactions (Cambridge, England : 2003) 20110207

Title: Solid-state density functional theory investigation of the terahertz spectra of the structural isomers 1,2-dicyanobenzene and 1,3-dicyanobenzene.

Journal: The journal of physical chemistry. A 20101202

Title: Novel metal complexes containing a chiral trinitrogen isoindoline-based pincer ligand: in situ synthesis and structural characterization.

Journal: Dalton transactions (Cambridge, England : 2003) 20101128

Title: Novel ball-type four dithioerythritol bridged metallophthalocyanines and their water-soluble derivatives: Synthesis and characterization, and electrochemical, electrocatalytic, electrical and gas sensing properties.

Journal: Dalton transactions (Cambridge, England : 2003) 20101107

Title: 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.

Journal: Journal of the American Chemical Society 20100922

Title: Synthesis and characterization of monoisomeric 1,8,15,22-substituted (A3B and A2B2) phthalocyanines and phthalocyanine-fullerene dyads.

Journal: The Journal of organic chemistry 20100806

Title: Stepwise in situ synthesis and characterization of metallophthalocyanines@mesoporous matrix SBA-15 composites.

Journal: Physical chemistry chemical physics : PCCP 20100521

Title: Inadvertent polychlorinated biphenyls in commercial paint pigments.

Journal: Environmental science & technology 20100415

Title: Preparation and in vitro photodynamic activity of amphiphilic zinc(II) phthalocyanines substituted with 2-(dimethylamino)ethylthio moieties and their N-alkylated derivatives.

Journal: Bioorganic & medicinal chemistry 20100401

Title: Lanthanide(III) bis(phthalocyaninato)-[60]fullerene dyads: synthesis, characterization, and photophysical properties.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20100104

Title: Synthesis, characterization, and electrocatalytic and electrical properties of novel ball-type four cyclopentyldisilanoxy-POSS bridged metallophthalocyanines.

Journal: Dalton transactions (Cambridge, England : 2003) 20091214

Title: Synthesis and in vitro photodynamic activities of di-alpha-substituted zinc(ii) phthalocyanine derivatives.

Journal: Dalton transactions (Cambridge, England : 2003) 20090607

Title: 1,2-Bis(1H-tetra-zol-5-yl)benzene dihydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20090601

Title: (E)-4-{2-[(4-Chloro-phen-yl)imino-meth-yl]phen-oxy}phthalonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20090501

Title: 4-{2-Meth-oxy-6-[(4-methyl-phen-yl)imino-meth-yl]phen-oxy}phthalonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20090501

Title: Effects of the number and position of the substituents on the in vitro photodynamic activities of glucosylated zinc(II) phthalocyanines.

Journal: Organic & biomolecular chemistry 20090421

Title: Modular synthesis of oxazolines and their derivatives.

Journal: Journal of combinatorial chemistry 20090309

Title: A novel modular approach to triazole-functionalized phthalocyanines using click chemistry.

Journal: The Journal of organic chemistry 20090102

Title: [Kinetic study on the in situ synthesis of nickle phthalocyanine in silica gel glass matrix by UV/Vis absorption spectra].

Journal: Guang pu xue yu guang pu fen xi = Guang pu 20090101

Title: Highly photocytotoxic 1,4-dipegylated zinc(II) phthalocyanines. Effects of the chain length on the in vitro photodynamic activities.

Journal: Organic & biomolecular chemistry 20081221

Title: 4-(2-Chloro-ethoxy)phthalonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20081201

Title: Glycosylated zinc(II) phthalocyanines as efficient photosensitisers for photodynamic therapy. Synthesis, photophysical properties and in vitro photodynamic activity.

Journal: Organic & biomolecular chemistry 20080621

Title: Synthesis, characterization and nonlinear absorption of novel octakis-POSS substituted metallophthalocyanines and strong optical limiting property of CuPc.

Journal: Dalton transactions (Cambridge, England : 2003) 20080514

Title: 2-(1H-Tetra-zol-5-yl)benzonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20080501

Title: 3-(m-Tol-yloxy)phthalonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20080201

Title: Synthesis, Characterization, and In Vitro Photodynamic Activity of Novel Amphiphilic Zinc(II) Phthalocyanines Bearing Oxyethylene-Rich Substituents.

Journal: Metal-based drugs 20080101

Title: 3,4-Dicyano-phenyl 2,3,4,6-tetra-O-acetyl-α-d-glucopyran-oside.

Journal: Acta crystallographica. Section E, Structure reports online 20080101

Title: Beyond classical coordination: silver-pi interactions in metal dipyrrin complexes.

Journal: Chemical communications (Cambridge, England) 20070614

Title: Dielectric spectroscopy analysis in employing liquid crystal phthalonitrile derivative in nematic liquid crystals.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070601

Title: Tetraazachlorin-fullerene conjugates: on-off control of electronic communication enabled by push-pull substituents.

Journal: Journal of the American Chemical Society 20070502

Title: In situ monitoring of the synthesis of a pyranine-substituted phthalonitrile derivative via the steady-state fluorescence technique.

Journal: The journal of physical chemistry. B 20070118

Title: Unsymmetrical Ni(II)-imidoylamidine complexes derived from a novel oxime-mediated single-pot reaction of nitriles.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20070101

Title: Porphyrin-appended europium(III) bis(phthalocyaninato) complexes: synthesis, characterization, and photophysical properties.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20070101

Title: Synthesis and photochemical properties of a bis(n-Hexanoyl)silicon tribenzonaphthoporphyrazate.

Journal: Photomedicine and laser surgery 20061001

Title: Racemic iron(III) and cobalt(III) complexes containing a new pentadentate 'helmet' phthalocyaninato ligand.

Journal: Chemical communications (Cambridge, England) 20060821

Title: Tetrakis[phthalocyaninato(2-)antimony(III)] docosaiodohexaantimony(III).

Journal: Acta crystallographica. Section C, Crystal structure communications 20060701

Title: Bis{[phthalocyaninato(2-)]arsenic(III)} octaiododiarsenic(III).

Journal: Acta crystallographica. Section C, Crystal structure communications 20060201

Title: Cd(II), Zn(II), and Pd(II) complexes of an isoindoline pincer ligand: consequences of steric crowding.

Journal: Inorganic chemistry 20050905

Title: Synthesis and electrochemical and photophysical studies of tetrathiafulvalene-annulated phthalocyanines.

Journal: The Journal of organic chemistry 20050624

Title: The fixation of bis(2-pyridylimino)isoindolato (BPI) ligands to dendritic carbosilanes.

Journal: Dalton transactions (Cambridge, England : 2003) 20050421

Title: An efficient synthesis of phthalocyanines based on an unprecedented double-addition of oximes to phthalonitriles.

Journal: Journal of the American Chemical Society 20041124

Title: Synthesis, structural investigation, and solid-state properties of iodine-doped zirconium diphthalocyanine, [ZrPc2]I3.I2.

Journal: Inorganic chemistry 20030602

Title: Two isomorphous complexes: dichloro[phthalocyaninato(2-)]tin(IV) and dichloro[phthalocyaninato(2-)]germanium(IV).

Journal: Acta crystallographica. Section C, Crystal structure communications 20030601

Title: Domino reactions of 4,5-dicyanopyridazine with dihydroheterocycles: synthetic and mechanistic features.

Journal: The Journal of organic chemistry 20030418

Title: Bis([phthalocyaninato(2-)]arsenic(III)) tetradecaiodotetra-arsenic(III).

Journal: Acta crystallographica. Section C, Crystal structure communications 20030201

Title: Naphthalene in the higher triplet excited state.

Journal: Chemical communications (Cambridge, England) 20030121

Title: 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.

Journal: Inorganic chemistry 20021007

Title: Tetrakis[phthalocyaninato(2-)antimony(III)] hexadecaiodotetraantimony(III).

Journal: Acta crystallographica. Section C, Crystal structure communications 20020101

Title: Iodo(phthalocyaninato)chromium(III).

Journal: Acta crystallographica. Section C, Crystal structure communications 20010801

Title: [Phthalocyaninato(2-)]antimony(III) chloride.

Journal: Acta crystallographica. Section C, Crystal structure communications 20010101

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