Pentyl 3,5-dinitrobenzoate

Base Information

Chemical Name:Pentyl 3,5-dinitrobenzoate
CAS No.:10478-03-2
Molecular Formula:C12H14 N2 O6
Molecular Weight:282.253
Hs Code.:2916399090
DSSTox Substance ID:DTXSID70146722
Wikidata:Q83011591
Mol file:10478-03-2.mol

Synonyms:pentyl 3,5-dinitrobenzoate;10478-03-2;Benzoic acid, 3,5-dinitro-, pentyl ester;3,5-Dinitrobenzoesaureamylester;SCHEMBL9676771;DTXSID70146722;KVRKVNNGYVWNGH-UHFFFAOYSA-N

Suppliers and Price of Pentyl 3,5-dinitrobenzoate

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 2 raw suppliers

Chemical Property of Pentyl 3,5-dinitrobenzoate

Chemical Property:

Vapor Pressure:1.16E-06mmHg at 25°C
Boiling Point:401.7°C at 760 mmHg
Flash Point:169.5°C
PSA：117.94000
Density:1.3g/cm³
LogP:3.89640
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:282.08518617
Heavy Atom Count:20
Complexity:340

Purity/Quality:: 98%,99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Pentyl 3,5-dinitrobenzoate

There total 3 articles about Pentyl 3,5-dinitrobenzoate 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: 90.0%

: 71-41-0
pentan-1-ol

: 99-33-2
3,5-dinitrobenoyl chloride

: 10478-03-2
pentyl 3,5-dinitrobenzoate

Guidance literature:: With potassium carbonate; sodium chloride; at 70 ℃; for 0.0333333h; under 2925.29 Torr; Microwave irradiation; Sealed tube; Green chemistry;
DOI:10.1080/00397911.2015.1078899

Reference yield: 67.0%

: 638-49-3
n-pentyl formate

: 99-34-3
3,5-dinitrobenzoic acid

: 10478-03-2
pentyl 3,5-dinitrobenzoate

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