Benzo[a]pyrene-7,8-dione

Base Information

Chemical Name:Benzo[a]pyrene-7,8-dione
CAS No.:65199-11-3
Molecular Formula:C20H10 O2
Molecular Weight:282.29
Hs Code.:2914399090
UNII:8V4WNR6N7H
DSSTox Substance ID:DTXSID50215501
Nikkaji Number:J315.273A
Wikidata:Q27159898
Mol file:65199-11-3.mol

Synonyms:benzo(a)pyrene-7,8-dione;benzopyrene-7,8-dione

Suppliers and Price of Benzo[a]pyrene-7,8-dione

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
Benzo[a]?pyrene-?7,8-dione
2.5mg
$ 195.00

American Custom Chemicals Corporation
BENZO(A)PYRENE-7,8-DIONE 95.00%
5MG
$ 505.92

Total 9 raw suppliers

Chemical Property of Benzo[a]pyrene-7,8-dione

Chemical Property:

Vapor Pressure:3.44E-11mmHg at 25°C
Boiling Point:526.9°C at 760 mmHg
Flash Point:231.5°C
PSA：34.14000
Density:1.446g/cm³
LogP:4.36260
XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:282.068079557
Heavy Atom Count:22
Complexity:548

Purity/Quality:

99% ^*data from raw suppliers

Benzo[a]?pyrene-?7,8-dione ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(=O)C5=O)C=C2
Uses Benzo[a]?pyrene-?7,8-dione is a metabolite of Benzopyrene (B205800). Benzopyrene is a known carcinogen.

Technology Process of Benzo[a]pyrene-7,8-dione

There total 19 articles about Benzo[a]pyrene-7,8-dione 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: 92.2%

: 13345-26-1
7-hydroxy benzo pyrene

: 65199-11-3
benzo[a]pyren-7,8-dione

Guidance literature:: With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In N,N-dimethyl-formamide; at 20 ℃; for 1h;
DOI:10.1021/jo030348n

Reference yield: 65.0%

: 17550-74-2,64314-00-7,59963-01-8
cis-7,8-dihydroxy-7,8,9,10-tetrahydrobenzo pyrene

: 65199-11-3
benzo[a]pyren-7,8-dione

Guidance literature:: With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; for 24h; Heating;
DOI:10.1016/S0040-4039(00)86775-1

Reference yield:

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

: 65199-11-3
benzo[a]pyren-7,8-dione

: 57303-99-8
7,8-Dihydroxybenzo[a]pyrene

: 9,10-Dihydroxybenzo[a]pyrene

: 57304-00-4
4,5-dihydroxybenzo[a]pyrene

Guidance literature:: With HepG₂ cells; tris hydrochloride; dimethyl sulfoxide; magnesium chloride; In water; for 72h; Further Variations:; Reagents; Product distribution;
DOI:10.1271/bbb.65.2205