3-Methylphenyl 3,5-dinitrobenzoate

Base Information

Chemical Name:3-Methylphenyl 3,5-dinitrobenzoate
CAS No.:92905-97-0
Molecular Formula:C14H10 N2 O6
Molecular Weight:302.243
Hs Code.:
NSC Number:87151
DSSTox Substance ID:DTXSID30293084
Wikidata:Q82031669
Pharos Ligand ID:3UFTX8BZZ1RR
ChEMBL ID:CHEMBL3238207
Mol file:92905-97-0.mol

Synonyms:3-methylphenyl 3,5-dinitrobenzoate;(3-methylphenyl) 3,5-dinitrobenzoate;92905-97-0;CHEMBL3238207;NSC87151;SCHEMBL13400268;DTXSID30293084;BDBM50004425;NSC-87151

Suppliers and Price of 3-Methylphenyl 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 6 raw suppliers

Chemical Property of 3-Methylphenyl 3,5-dinitrobenzoate

Chemical Property:

Vapor Pressure:3.13E-08mmHg at 25°C
Boiling Point:448.3°Cat760mmHg
Flash Point:196.3°C
PSA：117.94000
Density:1.42g/cm³
LogP:4.07700
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:302.05388604
Heavy Atom Count:22
Complexity:422

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=CC=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 3-Methylphenyl 3,5-dinitrobenzoate

There total 2 articles about 3-Methylphenyl 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: 86.0%

: 108-39-4
3-methyl-phenol

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

: 92905-97-0
3-tolyl 3,5-dinitrobenzoate

Guidance literature:: With potassium carbonate; sodium chloride; at 150 ℃; for 0.0333333h; under 3975.4 Torr; Microwave irradiation; Sealed tube; Green chemistry;
DOI:10.1080/00397911.2015.1078899

Reference yield: 40.0%

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

: 108-39-4
3-methyl-phenol

: 92905-97-0
3-tolyl 3,5-dinitrobenzoate

Guidance literature:: With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; at 20 ℃; for 8h;
DOI:10.1016/j.bmc.2014.03.008