octyl p-nitrobenzoate

Base Information

Chemical Name:octyl p-nitrobenzoate
CAS No.:6500-50-1
Molecular Formula:C15H21 N O4
Molecular Weight:279.336
Hs Code.:2916399090
European Community (EC) Number:229-382-9
DSSTox Substance ID:DTXSID9064392
Nikkaji Number:J225.156F
Wikidata:Q81991518
Mol file:6500-50-1.mol

Synonyms:Benzoicacid, p-nitro-, octyl ester (7CI,8CI); 1-Octyl 4-nitrobenzoate; Octyl4-nitrobenzoate; Octyl p-nitrobenzoate; n-Octyl p-nitrobenzoate

Suppliers and Price of octyl p-nitrobenzoate

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 7 raw suppliers

Chemical Property of octyl p-nitrobenzoate

Chemical Property:

Vapor Pressure:2.62E-06mmHg at 25°C
Boiling Point:390.6°C at 760 mmHg
Flash Point:149.3°C
PSA：72.12000
Density:1.095g/cm³
LogP:4.63530
Storage Temp.:Refrigerator
Solubility.:DMSO (Sparingly), Methanol (Slightly)
XLogP3:5.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:279.14705815
Heavy Atom Count:20
Complexity:293

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of octyl p-nitrobenzoate

There total 9 articles about octyl p-nitrobenzoate 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: 98.0%

: 111-87-5
octanol

: 122-04-3
4-nitro-benzoyl chloride

: 6500-50-1
n-octyl p-nitrobenzoate

Guidance literature:: With pyridine; In dichloromethane; at 0 ℃; Inert atmosphere;
DOI:10.1021/ic1000842

Reference yield: 95.0%

: 111-87-5
octanol

: 62-23-7
4-nitro-benzoic acid

: 6500-50-1
n-octyl p-nitrobenzoate

Guidance literature:: 4-nitro-benzoic acid; With dmap; In tetrahydrofuran; dichloromethane; at 25 ℃; for 0.166667h; Inert atmosphere;

octanol; In tetrahydrofuran; dichloromethane; at 25 ℃; for 0.25h; Inert atmosphere;
DOI:10.1021/acscombsci.5b00086

Reference yield: 95.0%

: 111-87-5
octanol

: 555-16-8
4-nitrobenzaldehdye

: 6500-50-1
n-octyl p-nitrobenzoate

Guidance literature:: With {(Pd{Fe(η5-C5H5)(η5-C5H3C(CH3)=NPh)}(μ-Cl))2}; caesium carbonate; benzyl chloride; triphenylphosphine; In tetrahydrofuran; at 70 ℃; for 12h; Inert atmosphere;
DOI:10.1002/aoc.3069