Phenyl 3-nitrobenzoate

Base Information

Chemical Name:Phenyl 3-nitrobenzoate
CAS No.:1906-43-0
Molecular Formula:C13H9NO4
Molecular Weight:243.219
Hs Code.:
DSSTox Substance ID:DTXSID40358895
Nikkaji Number:J868.655F
Wikidata:Q82139799
Mol file:1906-43-0.mol

Synonyms:phenyl 3-nitrobenzoate;1906-43-0;Benzoic acid, 3-nitro-, phenyl ester;Oprea1_188885;SCHEMBL8566918;DTXSID40358895;RJWPNHVUFZWZIT-UHFFFAOYSA-N;AKOS002710428

Suppliers and Price of Phenyl 3-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 Phenyl 3-nitrobenzoate

Chemical Property:

PSA：72.12000
LogP:3.33720
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:243.05315777
Heavy Atom Count:18
Complexity:307

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Phenyl 3-nitrobenzoate

There total 17 articles about Phenyl 3-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: 86.0%

: 619-25-0
3-Nitrobenzyl alcohol

: 108-95-2,27073-41-2
phenol

: 1906-43-0
3-nitro-benzoic acid phenyl ester

Guidance literature:: With [RhCl₂(p-cymene)]2; oxygen; caesium carbonate; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride; In 5,5-dimethyl-1,3-cyclohexadiene; at 130 ℃; for 24h;
DOI:10.1016/j.catcom.2011.12.041

Reference yield: 86.0%

: 645-00-1
m-iodonitrobenzene

: 67-66-3,8013-54-5
chloroform

: 108-95-2,27073-41-2
phenol

: 1906-43-0
3-nitro-benzoic acid phenyl ester

Guidance literature:: With palladium diacetate; triphenylphosphine; potassium hydroxide; In water; at 80 ℃; for 12h; Inert atmosphere;
DOI:10.1021/acs.joc.6b02711