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1-(4-bromophenyl)pyrene is a chemical compound that consists of a pyrene molecule with a 4-bromophenyl group attached to it. Pyrene is a polycyclic aromatic hydrocarbon (PAH) known for its carcinogenic and mutagenic properties, while the bromophenyl group is a common aromatic compound used in the production of pharmaceuticals, pesticides, and other industrial chemicals. The combination of these two components in 1-(4-bromophenyl)pyrene creates a chemical with potential health hazards and environmental risks. It is of interest in research related to environmental contamination, chemical synthesis, and toxicology, and its proper handling and disposal are crucial to minimize its potential impact on human health and the environment.

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  • 345924-29-0 Structure
  • Basic information

    1. Product Name: 1-(4-bromophenyl)pyrene
    2. Synonyms: 1-(4-bromophenyl)pyrene;Pyrene, 1-(4-bromophenyl)-
    3. CAS NO:345924-29-0
    4. Molecular Formula: C22H13Br
    5. Molecular Weight: 357.24262
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 345924-29-0.mol
    9. Article Data: 12
  • Chemical Properties

    1. Melting Point: 142-144 °C(Solv: hexane (110-54-3))
    2. Boiling Point: 500.1±19.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.467±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: soluble in Toluene
    9. CAS DataBase Reference: 1-(4-bromophenyl)pyrene(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-(4-bromophenyl)pyrene(345924-29-0)
    11. EPA Substance Registry System: 1-(4-bromophenyl)pyrene(345924-29-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 345924-29-0(Hazardous Substances Data)

345924-29-0 Usage

Uses

Used in Environmental Contamination Research:
1-(4-bromophenyl)pyrene is used as a research compound for studying the effects of environmental contamination caused by polycyclic aromatic hydrocarbons (PAHs) and their derivatives. It helps in understanding the behavior, distribution, and potential risks associated with these compounds in the environment.
Used in Chemical Synthesis:
1-(4-bromophenyl)pyrene is used as a building block or intermediate in the synthesis of various organic compounds, including pharmaceuticals, pesticides, and other industrial chemicals. Its unique structure and properties make it a valuable component in the development of new chemical entities.
Used in Toxicology Research:
1-(4-bromophenyl)pyrene is used as a model compound in toxicology research to study the mechanisms of action, toxicity, and potential health hazards associated with PAHs and their derivatives. This research contributes to the development of safer and more effective strategies for exposure prevention and risk mitigation.
Used in Environmental Monitoring and Analysis:
1-(4-bromophenyl)pyrene is used as a target analyte in environmental monitoring and analysis to assess the presence and concentration of PAHs and their derivatives in various environmental matrices, such as air, water, and soil. This information is crucial for evaluating the extent of environmental contamination and implementing appropriate remediation measures.
Used in Waste Management and Disposal:
1-(4-bromophenyl)pyrene is used as a reference compound in the development and evaluation of waste management and disposal strategies for hazardous chemicals. Understanding its properties and behavior helps in designing effective methods for the safe handling, treatment, and disposal of waste containing PAHs and their derivatives, thereby minimizing their potential impact on human health and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 345924-29-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,4,5,9,2 and 4 respectively; the second part has 2 digits, 2 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 345924-29:
(8*3)+(7*4)+(6*5)+(5*9)+(4*2)+(3*4)+(2*2)+(1*9)=160
160 % 10 = 0
So 345924-29-0 is a valid CAS Registry Number.

345924-29-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(4-bromophenyl)pyrene

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:345924-29-0 SDS

345924-29-0Relevant articles and documents

Blue light organic small molecule based on triplet state-triplet state annihilation mechanism and application thereof

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Paragraph 0036; 0040-0041, (2020/07/27)

The invention belongs to the field of luminescent materials, and discloses a blue light organic small molecule based on a triplet state-triplet state annihilation mechanism and application thereof. The structural formula of the blue light organic small molecule is shown as P1n, P2n, P3n or P4n. The blue light organic small molecules can still keep high device efficiency under high brightness as alight-emitting layer, can be used for non-doped devices, is beneficial to simplifying the device structure and reducing the device manufacturing cost, and overcomes the problem of serious efficiency roll-off of a metal complex phosphorescent material under high brightness. In addition, the introduction of cyano groups can enhance the interaction between molecules, and is beneficial to improving the efficiency of TTA, thereby further improving the performance of the device.

Pyrene structure-containing compound, and organic luminescent device thereof

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Paragraph 0113; 0114; 0118; 0119, (2019/01/21)

The invention discloses a pyrene structure-containing compound, and an organic luminescent device thereof. The pyrene structure-containing compound is formed through combination of a pyrene ring structure with a fluorene alkenyl; on one hand, a foldable three dimensional structure is achieved, so that certain distortion of the pyrene structure-containing compound in the space three-dimensional structure is realized, and the film forming performance is improved; on the other hand, the pyrene structure possesses relatively high triplet state energy level and relatively wide energy gap, and excellent blue light performance, when the pyrene ring structure is connected with fluorene alkenyl with electron withdrawing performance, green light or red light is emitted after bathochromic shift. Thepyrene structure-containing compound possesses appropriate HOMO and LUMO values, is capable of blocking transmission from cavities to electron transmission layers, and improving effective luminescence. When the pyrene structure-containing compound is applied in organic luminescent devices, the pyrene structure-containing compound is taken as a luminescent layer or a cavity blocking layer, low driving voltage and high luminescent efficiency of the organic luminescent devices are achieved.

Novel organic electroluminescent compound and organic electroluminescent device containing compound

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Paragraph 0065; 0078-0081, (2018/06/26)

The invention provides a novel organic electroluminescent compound and an organic electroluminescent device containing the compound. The structure of the organic electroluminescent compound provided by the invention is as shown in the specification. The organic electroluminescent compound can serve as multiple kinds of materials such as a blue doped material, a hole-transport material and an electronic barrier material to be used in the organic electroluminescent device, and also to achieve the effects of reducing driving voltage, improving the luminous efficiency, brightness, thermal stability and color purity of the device and prolonging the device lifetime. Meanwhile, the organic electroluminescent device using the organic electroluminescent compound provided by the invention has excellent properties of high efficiency and long lifetime.

Semiconducting Material Comprising a Phosphine Oxide Matrix and Metal Salt

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, (2018/05/03)

The present invention is directed to a semiconducting material comprising: i) a compound according to formula (I) wherein R1, R2 and R3 are independently selected from C1-C30-alkyl, C3-C30 cycloalkyl, C2-C30-heteroalkyl, C6-C30-aryl, C2-C30-heteroaryl, C1-C30-alkoxy, C3-C30-cycloalkyloxy, C6-C30 aryloxy, and from structural unit having general formula E-A-, wherein—A is a C6-C30 phenylene spacer unit, and—E is an electron transporting unit that is selected from C10-C60 aryl and C6-C60 heteroaryl comprising up to 6 heteroatoms independently selected from O, S, P, Si and B and that comprises a conjugated system of at least 10 delocalized electrons, and—at least one group selected from R1, R2 and R3 has the general formula E-A-; and ii) at least one complex of a monovalent metal having formula (II) wherein—M+ is a positive metal ion bearing a single elementary charge, and each of A1, A2, A3 and A4 is independently selected from H, substituted or unsubstituted C6-C20 aryl and substituted or unsubstituted C2-C20 heteroaryl, wherein a heteroaryl ring of at least 5 ring-forming atoms of the substituted or unsubstituted C2-C20 heteroaryl comprises at least one hetero atom selected from O, S and N.

Bioorthogonal Diversification of Peptides through Selective Ruthenium(II)-Catalyzed C–H Activation

Schischko, Alexandra,Ren, Hongjun,Kaplaneris, Nikolaos,Ackermann, Lutz

supporting information, p. 1576 - 1580 (2017/02/05)

Methods for the chemoselective modification of amino acids and peptides are powerful techniques in biomolecular chemistry. Among other applications, they enable the total synthesis of artificial peptides. In recent years, significant momentum has been gained by exploiting palladium-catalyzed cross-coupling for peptide modification. Despite major advances, the prefunctionalization elements on the coupling partners translate into undesired byproduct formation and lengthy synthetic operations. In sharp contrast, we herein illustrate the unprecedented use of versatile ruthenium(II)carboxylate catalysis for the step-economical late-stage diversification of α- and β-amino acids, as well as peptides, through chemo-selective C?H arylation under racemization-free reaction conditions. The ligand-accelerated C?H activation strategy proved water-tolerant and set the stage for direct fluorescence labelling as well as various modes of peptide ligation with excellent levels of positional selectivity in a bioorthogonal fashion. The synthetic utility of our approach is further demonstrated by twofold C?H arylations for the complexity-increasing assembly of artificial peptides within a multicatalytic C?H activation manifold.

Phosphine oxide functionalized pyrenes as efficient blue light emitting multifunctional materials for organic light emitting diodes

Mallesham, Godumala,Swetha, Chidirala,Niveditha, Surukonti,Mohanty, Maneesha Esther,Babu, Nanubolu Jagadeesh,Kumar, Arunandan,Bhanuprakash, Kotamarthi,Rao, Vaidya Jayathirtha

, p. 1208 - 1224 (2015/02/19)

In a search for blue light emitting multifunctional materials, the electron transport enhancing diphenyl phosphine-oxide (Ph2PO) group has been appended to blue light emitting pyrene derivatives. This design, we observe, leads to highly efficient electron transporting blue-emitters for non-doped organic light emitting devices (OLEDs) with good film formation characteristics. The superior performance is attributed to enhanced charge transport and formation of pyrene excimers assisted by thermally activated delayed fluorescence (TADF) in the device. We report the synthesis and characterization using experimental and computational methods of six such pyrene derivatives. Although three of these derivatives show quenching of luminescence in solvents at higher concentrations, in the thin film invariably all six of them exhibit typical pyrene excimer emission. X-ray crystal analysis reveals π-π stacking and the C-H...O interactions in the solid due to the PO group. The measured electron mobilities for all the compounds are higher in comparison to the standard electron transport material, Alq3. Non-doped OLEDs with the pyrene derivatives as emitters (multi-layer configuration) as well as electron transport cum emitters (bilayer configuration) exhibit excellent efficiencies. The derivatives as emitters display a performance with current efficiencies (ηc) in the range 21.1-30.1 cd A-1, power efficiencies (ηp) 11.0-15.76 lm W-1, external quantum efficiencies (EQE) 7.2-9.1% and brightness 28500-42750 cd m-2. In addition, the derivatives as electron transporting emitters demonstrate very good external quantum efficiencies in the range of 3.0-4.0%. These results demonstrate a successful strategy to obtain blue light emitting multifunctional materials for OLED applications.

INDENOTRIPHENYLENE DERIVATIVES AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME

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Paragraph 0027-0028, (2014/05/20)

The present invention discloses a new indenotriphenylene derivatives and organic light emitting device using the derivatives. The organic light emitting device employing new indenotriphenylene derivatives as host material can lower driving voltage, prolong half-lifetime, increasing efficiency. The new indenotriphenylene derivatives are represented by the following formula (A): Wherein A1, A2 are substituted or unsubstituted fused ring hydrocarbon units with one to five rings. Preferably A1, A2 are phenyl group, naphthyl group, anthracenyl group, pyrenyl group, chrysenyl group. Perylenyl group. R1 to R4 are identical or different. R1 to R4 are independently selected from the group consisting of a hydrogen atom, a halide, alkyl group having 1 to 20 carbon atoms, a substituted or unsubstituted aryl group having 6 to 30 carbon atoms, a substituted or unsubstituted aralkyl group having 6 to 30 carbon atoms, a substituted or unsubstituted heteroaryl group having 6 to 30 carbon atoms. X is selected from carbon atom or nitrogen atom.

NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME

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Page/Page column 71, (2011/05/05)

The present invention provides a novel nitrogen-containing heterocyclic derivative and an organic electronic device using the same. The organic electronic device according to the present invention has excellent properties in terms of efficiency, driving voltage, and a life span.

POLYCYCLIC AROMATIC COMPOUND, MATERIAL FOR FORMING LUMINESCENT COATING FILM AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME

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Page/Page column 27-28, (2010/11/26)

Disclosed are a novel polycyclic aromatic compound having a specific structure and a material for forming a luminescent coating film which is composed of an organic solvent solution containing such a polycyclic aromatic compound. Also disclosed is an organic electroluminescent (EL) device wherein an organic thin film layer composed of one or more layers including at least a light-emitting layer is interposed between a cathode and an anode. Such an organic EL device has high luminous efficiency and long life, since the polycyclic aromatic compound is contained, by itself or as a component of a mixture, in at least one layer of the organic thin film layer of the organic EL device.

FLUORENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME

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Page/Page column 51, (2008/06/13)

Disclosed is a fluorene derivative having a specific structure. Also disclosed is an organic electroluminescent device having high luminous efficiency wherein an organic thin film layer composed of one or more layers including at least a light-emitting layer is interposed between a cathode and an anode. At least one layer of the organic thin film layer contains the fluorene derivative of the specific structure alone or as a component of a mixture. Such an organic electroluminescent device with high luminous efficiency can be realized by this fluorene derivative.

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