6-Bromobenzo(A)pyrene

Base Information

Chemical Name:6-Bromobenzo(A)pyrene
CAS No.:21248-00-0
Molecular Formula:C20H11Br
Molecular Weight:331.22
Hs Code.:2903999090
UNII:7I5Z76T77D
DSSTox Substance ID:DTXSID90175493
Nikkaji Number:J36.047C
Wikidata:Q27268332
Mol file:21248-00-0.mol

Synonyms:6-bromobenzo(a)pyrene

Suppliers and Price of 6-Bromobenzo(A)pyrene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
6-Bromobenzo{a}pyrene
250mg
$ 495.00

American Custom Chemicals Corporation
6-BROMOBENZO(A)PYRENE 95.00%
5MG
$ 501.42

Total 8 raw suppliers

Chemical Property of 6-Bromobenzo(A)pyrene

Chemical Property:

Vapor Pressure:4.32E-10mmHg at 25°C
Melting Point:223.5°C
Refractive Index:1.6000 (estimate)
Boiling Point:512°C at 760 mmHg
Flash Point:261.6°C
PSA：0.00000
Density:1.56g/cm³
LogP:6.49970
XLogP3:7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:0
Exact Mass:330.00441
Heavy Atom Count:21
Complexity:405

Purity/Quality:

99% ^*data from raw suppliers

6-Bromobenzo{a}pyrene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Other Classes -> Polycyclic Aromatic Hydrocarbons
Canonical SMILES:C1=CC=C2C(=C1)C3=C4C(=C2Br)C=CC5=CC=CC(=C54)C=C3

Technology Process of 6-Bromobenzo(A)pyrene

There total 2 articles about 6-Bromobenzo(A)pyrene 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: 86.0%

: 50-32-8,42299-33-2,34505-58-3
benzo pyrene

: 21248-00-0
6-Bromobenzo[a]pyrene

Guidance literature:: With N-Bromosuccinimide; In tetrachloromethane; for 3h; Heating;
DOI:10.1055/s-2005-872262

Reference yield:

: C₂₀H₁₁Br⁽¹⁺⁾*ClO₄^(1-)

: 3067-12-7,64133-80-8
benzo[a]pyrene-6,12-dione

: 3067-13-8
benzo[a]pyrene-1,6-quinone

: 3067-14-9
benzo[a]pyrene-3,6-dione

: 21248-00-0
6-Bromobenzo[a]pyrene

Guidance literature:: With sodium acetate; In acetonitrile; for 0.25h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1021/jo00104a024

Reference yield:

: 21248-00-0
6-Bromobenzo[a]pyrene

: 4330-21-6
2-deoxy-3,5-di-O-p-toluoyl-α-D-erythro-pentofuranosyl chloride

: 6-benzo[a]pyrene-1'-β-D-2'-deoxyriboside-3',5'-di(p-toluoyl) ester

: 6-benzo[a]pyrene-1'-α-D-2'-deoxyriboside-3',5'-di(p-toluoyl) ester

Guidance literature:: 6-Bromobenzo[a]pyrene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

With zinc(II) chloride; In tetrahydrofuran; hexane; at -78 - 20 ℃;

2-deoxy-3,5-di-O-p-toluoyl-α-D-erythro-pentofuranosyl chloride; In tetrahydrofuran; hexane; at 20 ℃; Title compound not separated from byproducts;
DOI:10.1021/ja046910o