38303-36-5

Basic information

• Product Name: 1,3,6-tribromopyrene
• Synonyms: 1,3,6-tribromopyrene
• CAS NO: 38303-36-5
• Molecular Formula: C₁₆H₇Br₃
• Molecular Weight: 438.93878
• EINECS: 253-870-0
• Mol File: 38303-36-5.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 509.9 °C at 760 mmHg
• Flash Point: 252.1 °C
• Appearance: /
• Density: 2.084 g/cm³
• Vapor Pressure: 5.21E-10mmHg at 25°C
• Refractive Index: 1.868
• CAS DataBase Reference: 1,3,6-tribromopyrene(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,6-tribromopyrene(38303-36-5)
• EPA Substance Registry System: 1,3,6-tribromopyrene(38303-36-5)

Safety Data

• Hazardous Substances Data: 38303-36-5(Hazardous Substances Data)

Usage

Chemical class

Polycyclic aromatic hydrocarbons (PAHs)

Formation

Incomplete combustion of organic materials (coal, wood, and oil)

Toxicity

Highly toxic

Persistence

Persistent organic pollutant

Carcinogenic properties

Known to be carcinogenic

Mutagenic properties

Can cause changes to the DNA of living organisms, including humans

Environmental impact

Potential threat to the environment

Human health impact

Potential threat to human health

Regulation efforts

Efforts being made to regulate and reduce its release into the environment

InChI:InChI=1/C16H7Br3/c17-12-6-2-8-1-3-10-13(18)7-14(19)11-5-4-9(12)15(8)16(10)11/h1-7H

Upstream product

• 129-00-0 pyrene 
• 7726-95-6 bromine 
• 1714-29-0 1-bromopyrene 

Downstream Products

• 916747-36-9 1,3,6-tris(5-tert-butyl-2-methoxyphenyl)pyrene 
• 1509916-11-3 1,3,6-tris-(N,N-di-p-methoxyphenylamine)pyrene 
• 1032197-91-3 1,3,6-tris[4-(N,N-dimethylamino)phenylethynyl]pyrene 
• 1004759-98-1 1,6-bis[Au(PPh₃)]-3-bromopyrene 
• 916747-44-9 1,3,6-tris(5-tert-butyl-2-trifluoromethylsulfonylphenyl)pyrene 
• 916747-40-5 1,3,6-tris(5-tert-butyl-2-hydroxyphenyl)pyrene 

Relevant articles and documents

Effects of substituents on absorption and fluorescence properties of trimethylsilylethynyl- and tert-butylethynyl-pyrenes

Effects of substituents introduced at 1-position of trimethylsilylethynyl- and tert-butylethynyl-pyrenes on absorption and fluorescence properties were investigated. Fluorescence intensities of 1.0 × 10–5 M CH2Cl2 solutions of these pyrene derivatives were significantly larger than that of pyrene. Absorption of a silyl derivative having a formyl group shifted to longer wavelengths as the solvent polarity increased, whereas that of the carbon analog shifted to shorter wavelengths. On the other hand, in the solvent dependence of fluorescence, both fluorescence of them shifted to longer wavelengths as the polarity of the solvent increased. Fluorescence spectra of pyrene derivatives synthesized in this study at saturated concentrations in CH2Cl2 exhibited excimer emissions in the longer wavelength regions compared to that of unsubstituted pyrene. Fluorescence quantum yields of silicon analogs were higher than that of the corresponding carbon analogs in both solution and solid states. From the results of molecular orbital calculations, it was clarified that the effects of the substituents at the 1-position on the pyrene ring on the absorption and fluorescence properties can be explained by the properties of the molecular orbitals corresponding to the respective electron transitions.

Biphenyl compound and application thereof in preparation of 1, 3, 6-tribromopyrene

The invention discloses a biphenyl compound and application thereof in preparation of 1, 3, 6-tribromopyrene.

Furyl derivatives of pyrene: Efficient synthesis and relevant optical properties

A series of various furyl derivatives of pyrene were synthesized by Stille cross-coupling procedure. Their structures were characterized by nuclear magnetic resonance, and elemental analysis. Optical properties of the synthesized materials as well as their energy levels were investigated by ultraviolet-visible absorption supported by fluorescence spectra. All of the studied compounds exhibit fluorescence with energy peaks dependent on the number of furyl substituents. Furthermore, quantum mechanical modeling method of obtained materials are studied. Experimental data are focused on quantum chemical calculations. Highest occupied molecular and lowest unoccupied molecular orbitals are delocalized uniformly on both pyrene core and furyl substituents. Furanyl-pyrene hybrids are potentially good materials for optical applications mainly due to their optical and charge transport properties, which are also desired for electronic applications.