(6-Nitrobenzo[a]pyren-7-yl) acetate

Base Information

Chemical Name:(6-Nitrobenzo[a]pyren-7-yl) acetate
CAS No.:119087-37-5
Molecular Formula:C₂₂H₁₃NO₄
Molecular Weight:355.35
Hs Code.:
DSSTox Substance ID:DTXSID10922865
Wikidata:Q82896618
Mol file:119087-37-5.mol

Synonyms:(6-nitrobenzo[a]pyren-7-yl) acetate;6-Nitrobenzo(a)pyren-7-ol acetate (ester);119087-37-5;Benzo(a)pyren-7-ol, 6-nitro-, acetate (ester);NIOSH/DJ8297900;7-Acetoxy-6-nitrobenzo(a)pyrene;DTXSID10922865;6-Nitrobenzo(a)pyrene-7-ol acetate;6-nitrobenzo[pqr]tetraphen-7-yl acetate;Benzo(a)pyren-7-ol, 6-nitro-, acetate;DJ82979000

Suppliers and Price of (6-Nitrobenzo[a]pyren-7-yl) acetate

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
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Total 1 raw suppliers

Chemical Property of (6-Nitrobenzo[a]pyren-7-yl) acetate

Chemical Property:

Vapor Pressure:1.74E-13mmHg at 25°C
Boiling Point:580.9°Cat760mmHg
Flash Point:250.8°C
PSA：72.12000
Density:1.447g/cm³
LogP:6.09390
XLogP3:5.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:355.08445790
Heavy Atom Count:27
Complexity:616

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1=CC=CC2=C3C=CC4=C5C3=C(C=CC5=CC=C4)C(=C21)[N+](=O)[O-]

Technology Process of (6-Nitrobenzo[a]pyren-7-yl) acetate

There total 4 articles about (6-Nitrobenzo[a]pyren-7-yl) acetate 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:

: 171621-48-0
Acetic acid 6-nitro-9,10-dihydro-benzo[def]chrysen-7-yl ester

: 119087-37-5
Acetic acid 6-nitro-benzo[def]chrysen-7-yl ester

Guidance literature:: With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; for 4h; Yield given; Heating;

Reference yield:

: 3331-46-2
9,10-dihydrobenzo[a]pyren-(8H)-none

: 119087-37-5
Acetic acid 6-nitro-benzo[def]chrysen-7-yl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 22 percent / sodium nitrate, TFA, Ac₂O / acetic acid / 2.5 h / Ambient temperature

2: p-TsOH / 22 h / Heating

3: DDQ / dioxane / 4 h / Heating

With sodium nitrate; acetic anhydride; toluene-4-sulfonic acid; trifluoroacetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; acetic acid;

Reference yield:

: 120014-84-8
6-Nitro-9,10-dihydrobenzo pyren-7(8H)-one

: 119087-37-5
Acetic acid 6-nitro-benzo[def]chrysen-7-yl ester

Guidance literature:: Multi-step reaction with 2 steps

1: p-TsOH / 22 h / Heating

2: DDQ / dioxane / 4 h / Heating

With toluene-4-sulfonic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane;