6,12-Dibromochrysene

Base Information

• Chemical Name: 6,12-Dibromochrysene
• CAS No.: 131222-99-6
• Molecular Formula: C18H10Br2
• Molecular Weight: 386.085
• Hs Code.: 29039990
• European Community (EC) Number: 659-680-8
• DSSTox Substance ID: DTXSID20391063
• Nikkaji Number: J3.291.441A
• Wikidata: Q72464064
• Mol file: 131222-99-6.mol

Synonyms:6,12-dibromochrysene;131222-99-6;Chrysene, 6,12-dibromo-;6,12-Dibromochryscene;6,12-bis(bromanyl)chrysene;YSWG735;SCHEMBL349252;DTXSID20391063;AMY42312;MFCD00092281;AKOS015917385;CS-W011747;SB66550;DS-18179;D4236;FT-0733945;A806224

Chemical Property of 6,12-Dibromochrysene

Chemical Property:

• Vapor Pressure: 1.17E-10mmHg at 25°C
• Melting Point: 284 °C
• Refractive Index: 1.792
• Boiling Point: 526.778 °C at 760 mmHg
• Flash Point: 315.311 °C
• PSA: 0.00000
• Density: 1.722 g/cm³
• LogP: 6.67120
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 385.91288
• Heavy Atom Count: 20
• Complexity: 321

Purity/Quality:

98% ^*data from raw suppliers

6,12-Dibromochrysene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC3=C2C=C(C4=CC=CC=C43)Br)Br
• Use Description: 6,12-Dibromochrysene is a chemical compound with applications in various fields. In the realm of organic chemistry and chemical research, it serves as a valuable starting material for the synthesis of complex organic molecules. Its role is crucial in the development of novel compounds and the exploration of new chemical reactions. Additionally, in the field of material science, it can be used as a building block for designing and synthesizing organic semiconductors and functional materials, which are essential components in electronic devices and optoelectronics. Its significance varies within these fields, but it consistently plays a pivotal role in advancing chemical synthesis, materials innovation, and the development of new technologies.

Technology Process of 6,12-Dibromochrysene

There total 2 articles about 6,12-Dibromochrysene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

chrysene (218-01-9) → 6,12-dibromochrysene (131222-99-6)

Guidance literature:

With bromine; In chloroform; at 80 ℃; for 24h; regioselective reaction; Inert atmosphere;

DOI:10.1039/c9cc00270g

Reference yield:

chrysene (218-01-9) + bromine (7726-95-6) → 6,12-dibromochrysene (131222-99-6)

Guidance literature:

Reference yield: 98.0%

N-Phenyl-2-naphthylamine (135-88-6,84420-28-0) + 6,12-dibromochrysene (131222-99-6) → C50H34N2

Guidance literature:

With tri-tert-butyl phosphine; sodium t-butanolate; palladium diacetate; In toluene; at 100 ℃;

upstream raw materials:

chrysene

bromine

Downstream raw materials:

p-benzoquinone

Refernces

• 1、 Bock, Harald,Huet, Stephanie,Dechambenoit, Pierre,Hillard, Elizabeth A.,Durola, Fabien. "From chrysene to double [5] Helicenes". . p. 1033 - 1039. Retrieved 2015.
• 2、 Tang, Zefeng,Li, Tianyu,Cao, Yucai,Zhang, Yuyan,He, Lifei,Zheng, Aibin,Lei, Ming. "Chrysene-Based Azahelicene π-Linker of D-π-D-Type Hole-Transporting Materials for Perovskite Solar Cells". . p. 4923 - 4928. Retrieved 2021/10/19.