5-Methylbenzo(a)pyrene

Base Information

Chemical Name:5-Methylbenzo(a)pyrene
CAS No.:31647-36-6
Molecular Formula:C₂₁H₁₄
Molecular Weight:266.342
Hs Code.:
DSSTox Substance ID:DTXSID90185532
Nikkaji Number:J518.590D
Wikidata:Q83056572
Mol file:31647-36-6.mol

Synonyms:5-Methylbenzo(a)pyrene;5-Methyl-BP;CCRIS 2439;BENZO(a)PYRENE, 5-METHYL-;5-methylbenzo[a]pyrene;BRN 2109223;31647-36-6;Benzo[a]pyrene, 5-methyl-;DTXSID90185532;LS-40037

Suppliers and Price of 5-Methylbenzo(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 3 raw suppliers

Chemical Property of 5-Methylbenzo(a)pyrene

Chemical Property:

Vapor Pressure:6.9E-09mmHg at 25°C
Melting Point:215.95°C
Refractive Index:1.8530 (estimate)
Boiling Point:479.4°C at 760 mmHg
Flash Point:236.7°C
PSA：0.00000
Density:1.254g/cm³
LogP:6.04560
Water Solubility.:0.8ug/L(27 oC)
XLogP3:6.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:0
Exact Mass:266.109550447
Heavy Atom Count:21
Complexity:399

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=CC=CC3=C2C4=C(C=C3)C5=CC=CC=C5C=C14

Technology Process of 5-Methylbenzo(a)pyrene

There total 5 articles about 5-Methylbenzo(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:

: 31647-36-6
5-methyl-benzo[def]chrysene

Guidance literature:: With zinc;
DOI:10.1021/ja01277a077

Reference yield:

: 71718-30-4
1-Chrysen-4-yl-propan-2-one

: 31647-36-6
5-methyl-benzo[def]chrysene

Guidance literature:: With methanesulfonic acid;
DOI:10.1021/jo01338a050

Reference yield:

: 71718-28-0
2-Chrysen-4-yl-3-oxo-butyric acid

: 31647-36-6
5-methyl-benzo[def]chrysene

Guidance literature:: Multi-step reaction with 2 steps

1: (decarboxylation)

2: MeSO₃H

With methanesulfonic acid;
DOI:10.1021/jo01338a050