38791-62-7

Basic information

• Product Name: 4-PHENOXYPHTHALONITRILE
• Synonyms: 4-PHENOXYPHTHALONITRILE;4-Phenoxy-1,2-benzenedicarbonitrile;NSC 646245;4-phenoxybenzene-1,2-dinitrile
• CAS NO: 38791-62-7
• Molecular Formula: C₁₄H₈N₂O
• Molecular Weight: 220.23
• Product Categories: P;Stains and Dyes;Stains&Dyes, A to
• Mol File: 38791-62-7.mol

Chemical Properties

• Melting Point: 98-100 °C(lit.)
• Boiling Point: 399.8°C at 760 mmHg
• Flash Point: 166.1°C
• Appearance: /
• Density: 1.24g/cm³
• Vapor Pressure: 1.33E-06mmHg at 25°C
• Refractive Index: 1.625
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 4-PHENOXYPHTHALONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-PHENOXYPHTHALONITRILE(38791-62-7)
• EPA Substance Registry System: 4-PHENOXYPHTHALONITRILE(38791-62-7)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 38791-62-7(Hazardous Substances Data)

Usage

Uses

Used in Organic Pigments and Dyes Industry:
4-Phenoxyphthalonitrile is used as a key component in the production of organic pigments and dyes. Its unique chemical structure contributes to the development of vibrant and stable colorants that are widely utilized in various industries, such as textiles, plastics, and printing.
Used in Pharmaceutical Applications:
4-Phenoxyphthalonitrile is used as a monoamine oxidase inhibitor in the pharmaceutical industry. Monoamine oxidase inhibitors are a class of drugs that help regulate the levels of certain neurotransmitters in the brain, such as serotonin, norepinephrine, and dopamine. By inhibiting the activity of monoamine oxidase enzymes, 4-Phenoxyphthalonitrile can potentially be used in the treatment of various psychiatric and neurological disorders, including depression, anxiety, and Parkinson's disease.
Used in Dyes and Metabolites Research:
4-Phenoxyphthalonitrile's monoamine oxidase inhibitory activity also makes it a valuable compound for research in the field of dyes and metabolites. Its ability to modulate neurotransmitter levels can provide insights into the development of new drugs and therapies for various medical conditions. Additionally, its chemical properties may be useful in the synthesis of novel dyes and metabolites with potential applications in various industries.

InChI:InChI=1/C14H8N2O/c15-9-11-6-7-14(8-12(11)10-16)17-13-4-2-1-3-5-13/h1-8H

Upstream product

• 31643-49-9 4-Nitrophthalonitrile 
• 108-95-2 phenol 
• 139-02-6 sodium phenoxide 

Downstream Products

• 77447-45-1 Zn(phthalocyanine(OPh)4) 
• 1236228-97-9 β-phenothiazinyl-tri(β-phenoxy) zinc phthalocyanine 
• 147699-63-6 1,2-diisocyano-3,4-diphenoxy benzene 
• 1421312-36-8 [(4-hydroxy-1-methyl-7-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid methyl ester 
• 1421312-35-7 4-hydroxy-1-methyl-7-phenoxy-3-isoquinolinecarboxylic acid 
• 1421312-34-6 4-hydroxy-1-methyl-7-phenoxyisoquinolinyl-3-carboxylic acid methyl ester 
• 1421312-33-5 methyl 4-hydroxy-1-chloro-7-phenoxyisoquinoline-3-carboxylate 
• 1421312-32-4 C₁₇H₁₃NO₅ 
• 1421312-31-3 C₁₈H₁₃NO₆ 
• 21345-01-7 4-phenoxyphthalic anhydride 
• 37951-15-8 4-phenoxyphthalic acid 
• 808118-40-3 [(4-hydroxy-1-methyl-7-phenoxy-isoquinoline-3-carbonyl)-amino]-acetic acid 
• 77447-46-2 cobalt(II) tetra-4-(C₆H₅O)-phthalocyanine 
• 77447-50-8 Cu(C₈H₃N₂OC₆H₅)4 

Relevant articles and documents

Titanyl phthalocyanine and its soluble derivatives: Highly efficient photosensitizers for singlet oxygen production

The photophysical properties of titanyl phthalocyanine (TiOPc), tetra(β-phenoxy) titanyl phthalocyanine (TiOPc(β-OPh)4) and tetra(α-phenoxy) titanyl phthalocyanine (TiOPc(α-OPh)4), were investigated in homogeneous solution. Absorptio

Novel axially substituted lanthanum phthalocyanines: Synthesis, photophysical and nonlinear optical properties

Materials with excellent nonlinear optical (NLO) properties are usually applied in optoelectronics and optical limiting devices. Photoinduced intramolecular electron transfer (PET) and energy transfer (ET) play an important role in enhanced NLO properties

Synthesis and structural characterization of Cr(III) complex of porphyrazine and phthalocyanine derivatives: Kinetic studies of metalation and redox activity

Chromium(III) complexes of 2,3,7,8,12,13,17,18-octakis(propyl)porphyrazine and 2,3,9,10,16,17,23,24-octa substituted phthalocyanine were synthesized, characterized and the kinetics of metalation and redox activity studied and reported. The results obtained indicated that the rate of incorporation of Cr(III) into the central cavity of the ligands is a function of the kinetic inertness and size of the metal ion as well as the peripheral substituents of the ligand. The Cr(III) complex of 2,3,7,8,12,13,17,18-octakis(propyl)porphyrazine exhibited a metal based reduction. Hence it was concluded that the nature of the incorporated metal ions has an influence on the rate and mechanism of incorporation of the metal ion and also the redox activities of these complexes.

Lipophilic N-Hydroxyphthalimide Catalysts for the Aerobic Oxidation of Cumene: Towards Solvent-Free Conditions and Back

A new class of lipophilic N-hydroxyphthalimide (NHPI) catalysts designed for the aerobic oxidation of cumene in solvent-free conditions was synthesized and tested. The specific strategy proposed for the introduction of lipophilic tails on the NHPI moiety

CRYSTAL TYPES OF COMPOUNDS INHIBITING ACTIVITY OF PROLYL HYDROXYLASE AND USE THEREOF

The invention relates to crystal types of compound shown as structural formula I, methods of preparing the compound, intermediate, pharmaceutical composition, and use of treating disease or pharmaceutical preparations for treating disease.

POLYMORPHIC FORMS OF COMPOUNDS AS PROLYL HYDROXYLASE INHIBITOR, AND USES THEREOF

The present invention relates to the polymorphic forms of the compound of Formula (I), preparation thereof including the preparation of intermediates and pharmaceutical compositions, and use of a polymorph above in the treatment of a disease, a disorder o

Synthesis and structural characterization of 2,3,7,8,12,13,17,18- octakis(propyl), N, N, N′, N′-tetramethylaminoporphyrazines and 2,3,9,10,16,17,23,24-octa substituted phthalocyanine and the kinetic studies of their Co(II) and Cu(II) metalated complexes

Three tetrapyrrole macrocyclic compounds 2,3,7,8,12,13,17,18- octakis(propyl)porphyrazine, N, N, N′, N′-tetramethylamino porphyrazine hybrid and 2,3,9,10,16,17,23,24-octa substituted phthalocyanine were synthesized and characterized using elemental analys

POLYMORPHIC FORMS OF COMPOUNDS AS PROLYL HYDROXYLASE INHIBITOR, AND USES THEREOF

The present invention relates to the polymorphic forms of the compound of Formula (I), preparation thereof including the preparation of intermediates and pharmaceutical compositions, and use of a polymorph above in the treatment of a disease, a disorder o

Monoamine oxidase inhibition by C4-substituted phthalonitriles

It was recently reported that a series of C5-substituted phthalimides are remarkably potent reversible inhibitors of recombinant human monoamine oxidase (MAO) B. Modeling studies suggested that the phthalimide ring forms numerous polar interactions with the polar region of the MAO-B substrate cavity while the C5 side chain extends to, and interacts via Van der Waals interactions with the hydrophobic regions of the enzyme entrance cavity. Interactions with both cavities appear to be requirements for high affinity binding. In the present study we have examined an analogs series of C4-substituted phthalonitriles as potential human MAO inhibitors. The phthalonitriles were found to be highly potent reversible MAO-B inhibitors with most analogs exhibiting IC50 values in the low nM range. The phthalonitriles also interacted with human MAO-A, although with lower binding affinities compared to MAO-B. Modeling studies suggest that the high binding affinities of the phthalonitriles to MAO-B may depend, at least in part, on the formation of polar interactions between the nitrile functional groups and the enzyme substrate cavity. Examination of a homologs series of benzonitriles established that the phthalonitrile moiety is more optimal for MAO-B inhibition than the corresponding benzonitrile moiety, and that C3-substituted benzonitriles are better MAO-B inhibitors than C4-substituted benzonitriles. Since elimination of the nitrile functional group yielded compounds with only moderate MAO-B inhibition potencies, it may be concluded that this functional group is privileged for MAO-B inhibition.

Physico-chemical properties of lutetium phthalocyanine complexes in solution and in solid polystyrene polymer fibers and their application in photoconversion of 4-nitrophenol

The photophysical and photochemical behavior of two phthalocyanine complexes of lutetium peripherally substituted with tetraphenoxy and tetra-2-pyridiloxy groups were studied in solution and when dispersed in polystyrene polymer fiber. The phthalocyanines were found not to fluoresce significantly in solution and not at all within the fiber matrix as compared with standard unsubstituted zinc phthalocyanine. They showed very promising photoactivity in solution with high singlet oxygen quantum yields. Their photoactivity within the polymer fiber matrix was also demonstrated with the photoconversion of 4-nitrophenol, a water pollutant. The photodegradation process with both phthalocyanines follows first order kinetics similar to that observed for the zinc phthalocyanine and the photo-products were found to be hydroquinone, benzoquinone and 4-nitrocatechol.