1-Nitrobenzo(a)pyrene

Base Information

Chemical Name:1-Nitrobenzo(a)pyrene
CAS No.:70021-99-7
Molecular Formula:C20H11 N O2
Molecular Weight:297.32
Hs Code.:
UNII:7LW05PHL0K
DSSTox Substance ID:DTXSID4075085
Nikkaji Number:J65.894D
Wikidata:Q82003123
NCI Thesaurus Code:C29779
ChEMBL ID:CHEMBL164492
Mol file:70021-99-7.mol

Synonyms:1-NBaP;1-nitrobenzo(a)pyrene

Suppliers and Price of 1-Nitrobenzo(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

American Custom Chemicals Corporation
1-NITROBENZO(A)PYRENE 95.00%
5MG
$ 495.42

Total 5 raw suppliers

Chemical Property of 1-Nitrobenzo(a)pyrene

Chemical Property:

Vapor Pressure:6.33E-11mmHg at 25°C
Melting Point:250.25°C
Refractive Index:1.5180 (estimate)
Boiling Point:533.5°C at 760 mmHg
Flash Point:265.4°C
PSA：45.82000
Density:1.429g/cm³
LogP:6.16860
XLogP3:6.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:297.078978594
Heavy Atom Count:23
Complexity:487

Purity/Quality:

99% ^*data from raw suppliers

1-NITROBENZO(A)PYRENE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=C(C=C5)[N+](=O)[O-])C=C3

Technology Process of 1-Nitrobenzo(a)pyrene

There total 10 articles about 1-Nitrobenzo(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: 99.0%

: 88598-56-5
1-nitro-7,8,9,10-tetrahydrobenzo pyrene

: 70021-99-7
1-nitrobenzo pyrene

Guidance literature:: With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In benzene; for 8h; Heating;
DOI:10.1021/jm00375a012

Reference yield: 54.0%

: 615283-19-7
1-nitrobenzo[a]pyrene-6-carboxylic acid

: 70021-99-7
1-nitrobenzo pyrene

Guidance literature:: With copper; In quinoline; for 12h; Heating;
DOI:10.1002/ejoc.200300216

Reference yield: 28.0%

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

: 63041-90-7
6-nitrobenzo(a)pyrene

: 70021-98-6
3-nitrobenzo pyrene

: 70021-99-7
1-nitrobenzo pyrene

: 128714-76-1
3,6-dinitrobenzo[a]pyrene

: 128714-75-0
1,6-dinitrobenzo[a]pyrene

Guidance literature:: With nitric acid; In acetic anhydride; for 0.5h; Product distribution; Ambient temperature; other reaction time;
DOI:10.1248/cpb.38.3158