1,3-Dimethylbenzo[a]pyrene

Base Information

Chemical Name:1,3-Dimethylbenzo[a]pyrene
CAS No.:16757-86-1
Molecular Formula:C₂₂H₁₆
Molecular Weight:280.369
Hs Code.:2902909090
DSSTox Substance ID:DTXSID00168316
Nikkaji Number:J36.055D
Wikidata:Q83037891
Mol file:16757-86-1.mol

Synonyms:1,3-dimethylbenzo[a]pyrene;16757-86-1;1,3-Dimethylbenzo(a)pyrene;BENZO(a)PYRENE, 1,3-DIMETHYL-;BRN 2272898;Benzo[a]pyrene, 1,3-dimethyl-;DTXSID00168316;LS-39982

Suppliers and Price of 1,3-Dimethylbenzo[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

Total 5 raw suppliers

Chemical Property of 1,3-Dimethylbenzo[a]pyrene

Chemical Property:

Vapor Pressure:2.65E-09mmHg at 25°C
Refractive Index:1.8530 (estimate)
Boiling Point:490.9°C at 760 mmHg
Flash Point:244.6°C
PSA：0.00000
Density:1.226g/cm³
LogP:6.35400
XLogP3:7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:0
Exact Mass:280.125200510
Heavy Atom Count:22
Complexity:426

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C2C=CC3=C4C2=C1C=CC4=CC5=CC=CC=C35)C

Technology Process of 1,3-Dimethylbenzo[a]pyrene

There total 2 articles about 1,3-Dimethylbenzo[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:

: 917-64-6
methyl magnesium iodide

: 853925-21-0
1-methyl-1,6,10b,11,12,12a-hexahydro-2H-benzo[def]chrysen-3-one

: 16757-86-1
1,3-Dimethylbenzo pyren

Guidance literature:: With diethyl ether; benzene; Erhitzen des Reaktionsprodukts mit Palladium/Kohle auf 300-325grad;
DOI:10.1021/ja01617a043

Reference yield:

: 114254-76-1
3-methyl-1,6,10b,11,12,12a-hexahydro-benzo[def]chrysene-1-carboxylic acid methyl ester

: 16757-86-1
1,3-Dimethylbenzo pyren

Guidance literature:: With lithium aluminium tetrahydride; diethyl ether; Erhitzen des Reaktionsprodukts mit Palladium;
DOI:10.1039/jr9560001938

Reference yield:

: 16757-86-1
1,3-Dimethylbenzo pyren

: 93-61-8
N-methyl-N-phenylformamide

: 16757-92-9
1,3,6-trimethyl-benzo[def]chrysene

Guidance literature:: With 1,2-dichloro-benzene; trichlorophosphate; Erhitzen des erhaltenen 1,3-Dimethyl-benzo<def>chrysen-6-carbaldehyds mit N2H4+H2O und KOH in Diaethylenglykol auf 235grad;
DOI:10.1021/ja01539a032