4-Hydroxybutyl 3,5-dinitrobenzoate

Base Information

Chemical Name:4-Hydroxybutyl 3,5-dinitrobenzoate
CAS No.:79441-54-6
Molecular Formula:C11H12 N2 O7
Molecular Weight:284.225
Hs Code.:
NSC Number:115858
DSSTox Substance ID:DTXSID50297408
Wikidata:Q82038485

Synonyms:79441-54-6;4-hydroxybutyl 3,5-dinitrobenzoate;NSC115858;SCHEMBL10960450;DTXSID50297408;NSC-115858

Suppliers and Price of 4-Hydroxybutyl 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 5 raw suppliers

Chemical Property of 4-Hydroxybutyl 3,5-dinitrobenzoate

Chemical Property:

Vapor Pressure:2.36E-09mmHg at 25°C
Boiling Point:462.6°Cat760mmHg
Flash Point:233.5°C
Density:1.435g/cm³
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:284.06445073
Heavy Atom Count:20
Complexity:341

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-Hydroxybutyl 3,5-dinitrobenzoate

There total 2 articles about 4-Hydroxybutyl 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: 79.0%

: 110-63-4
Butane-1,4-diol

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

: 79441-54-6
1-<3,5-Dinitro-benzoyloxy>-butanol-(4)

Guidance literature:: With triethylamine; In tetrahydrofuran; at 20 ℃; for 20h;

Reference yield:

: 79441-54-6
1-<3,5-Dinitro-benzoyloxy>-butanol-(4)

Guidance literature:: aus 1,4-Dihydroxy-butan-mono-tetrahydropyranylether 1. 3,5-Dinitro-benzoyl- chlorid, Py. (--> Oel); 2. Hydrolyse mit H2SO4 in Me. <5 min, 35grad>;
DOI:10.1021/ja01056a037