Methyl 4-bromo-3,5-dinitrobenzoate

Base Information

Chemical Name:Methyl 4-bromo-3,5-dinitrobenzoate
CAS No.:23938-86-5
Molecular Formula:C₈H₅BrN₂O₆
Molecular Weight:305.041
Hs Code.:2916399090
DSSTox Substance ID:DTXSID00394739
Wikidata:Q82194315
Mol file:23938-86-5.mol

Synonyms:methyl 4-bromo-3,5-dinitrobenzoate;DTXSID00394739;AKOS003614569;23938-86-5

Suppliers and Price of Methyl 4-bromo-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

American Custom Chemicals Corporation
4-BROMO-3,5-DINITROBENZOIC ACID METHYL ESTER 95.00%
5MG
$ 505.64

Total 3 raw suppliers

Chemical Property of Methyl 4-bromo-3,5-dinitrobenzoate

Chemical Property:

Melting Point:123-124 °C
Boiling Point:354.9±37.0 °C(Predicted)
PSA：117.94000
Density:1.824±0.06 g/cm3(Predicted)
LogP:3.09850
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:303.93310
Heavy Atom Count:17
Complexity:314

Purity/Quality:

99% ^*data from raw suppliers

4-BROMO-3,5-DINITROBENZOIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 4-bromo-3,5-dinitrobenzoate

There total 5 articles about Methyl 4-bromo-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:

: 577-52-6
4-bromo-3,5-dinitrobenzoic acid

: 23938-86-5
methyl 4-bromo-3,5-dinitrobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: PCl₅ / 0.25 h / 150 °C

With phosphorus pentachloride;
DOI:10.1021/jo030212p

Reference yield:

: 586-76-5
4-Bromobenzoic acid

: 23938-86-5
methyl 4-bromo-3,5-dinitrobenzoate

Guidance literature:: Multi-step reaction with 3 steps

1: H₂SO₄; HNO₃ / 3 h / 0 - 90 °C

2: PCl₅ / 0.25 h / 150 °C

With phosphorus pentachloride; sulfuric acid; nitric acid;
DOI:10.1021/jo030212p