Pentyl 4-nitrobenzoate

Base Information

Chemical Name:Pentyl 4-nitrobenzoate
CAS No.:14309-42-3
Molecular Formula:C12H15 N O4
Molecular Weight:237.255
Hs Code.:2916399090
European Community (EC) Number:238-247-3
DSSTox Substance ID:DTXSID7065752
Nikkaji Number:J216.956H
Wikidata:Q81992372
Mol file:14309-42-3.mol

Synonyms:Pentyl 4-nitrobenzoate;14309-42-3;Benzoic acid, 4-nitro-, pentyl ester;EINECS 238-247-3;Amyl p-nitrobenzoate;Pentyl 4-nitrobenzoate #;DTXSID7065752;SCHEMBL10937479;4-Nitrobenzoic acid pentyl ester;4-Nitrobenzoic acid, pentyl ester

Suppliers and Price of Pentyl 4-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 5 raw suppliers

Chemical Property of Pentyl 4-nitrobenzoate

Chemical Property:

Vapor Pressure:3.18E-05mmHg at 25°C
Boiling Point:355.2°Cat760mmHg
Flash Point:149.3°C
PSA：72.12000
Density:1.156g/cm³
LogP:3.46500
XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:237.10010796
Heavy Atom Count:17
Complexity:254

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Pentyl 4-nitrobenzoate

There total 14 articles about Pentyl 4-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: 85.0%

: 71-41-0
pentan-1-ol

: 555-16-8
4-nitrobenzaldehdye

: 14309-42-3
pentyl 4-nitrobenzoate

Guidance literature:: With urea-2,2-dihydroperoxypropane; hydrogen bromide; acetic acid; at 20 ℃; for 4h;
DOI:10.1002/jccs.201600777

Reference yield: 84.0%

: 636-98-6
p-nitrobenzene iodide

: 71-41-0
pentan-1-ol

: 13939-06-5,199620-15-0
molybdenum hexacarbonyl

: 14309-42-3
pentyl 4-nitrobenzoate

Guidance literature:: In N,N-dimethyl-formamide; at 25 ℃; for 48h; Irradiation; Green chemistry;
DOI:10.1039/d0cy01717e

Reference yield: 80.0%

: 638-49-3
n-pentyl formate

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

: 14309-42-3
pentyl 4-nitrobenzoate

Guidance literature:: With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate); In 1,2-dichloro-ethane; at 130 ℃; for 12h; Sealed tube;
DOI:10.1039/c4ob00193a