4-Hydroxyphenyl 4-nitrobenzoate

Base Information

Chemical Name:4-Hydroxyphenyl 4-nitrobenzoate
CAS No.:13245-55-1
Molecular Formula:C13H9 N O5
Molecular Weight:259.21
Hs Code.:2916399090
NSC Number:23422
DSSTox Substance ID:DTXSID40927686
Wikidata:Q82902324
Mol file:13245-55-1.mol

Synonyms:4-HYDROXYPHENYL 4-NITROBENZOATE;13245-55-1;(4-hydroxyphenyl) 4-nitrobenzoate;NSC23422;1,4-Benzenediol,1-(4-nitrobenzoate);4-Hydroxyphenyl4-nitrobenzoate;SCHEMBL9135711;DTXSID40927686;NSC-23422;4-Nitro-benzoic acid 4-hydroxy-phenyl ester

Suppliers and Price of 4-Hydroxyphenyl 4-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

American Custom Chemicals Corporation
4-HYDROXYPHENYL 4-NITROBENZOATE 95.00%
5MG
$ 504.72

Total 11 raw suppliers

Chemical Property of 4-Hydroxyphenyl 4-nitrobenzoate

Chemical Property:

Vapor Pressure:9.55E-10mmHg at 25°C
Boiling Point:477.6°Cat760mmHg
Flash Point:242.7°C
PSA：92.35000
Density:1.415g/cm³
LogP:3.04280
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:259.04807239
Heavy Atom Count:19
Complexity:324

Purity/Quality:

99% ^*data from raw suppliers

4-HYDROXYPHENYL 4-NITROBENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)O)[N+](=O)[O-]

Technology Process of 4-Hydroxyphenyl 4-nitrobenzoate

There total 4 articles about 4-Hydroxyphenyl 4-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:

: 122-04-3
4-nitro-benzoyl chloride

: 123-31-9,8027-02-9
hydroquinone

: 13245-55-1
4-nitro-benzoic acid-(4-hydroxy-phenyl ester)

: 24706-98-7
1,4-bis-(4-nitro-benzoyloxy)-benzene

Guidance literature:: With pyridine; at 100 ℃;
DOI:10.1021/ja01251a029

Reference yield:

: 122-04-3
4-nitro-benzoyl chloride

: 123-31-9,8027-02-9
hydroquinone

: 13245-55-1
4-nitro-benzoic acid-(4-hydroxy-phenyl ester)

Guidance literature:: With triethylamine; In dichloromethane; at 90 ℃; for 3h; Inert atmosphere;
DOI:10.1039/c7cc02970e

Reference yield:

: 62-23-7
4-nitro-benzoic acid

: 13245-55-1
4-nitro-benzoic acid-(4-hydroxy-phenyl ester)

Guidance literature:: Multi-step reaction with 2 steps

1: thionyl chloride; N,N-dimethyl-formamide / 3 h / 90 °C / Reflux; Inert atmosphere

2: triethylamine / dichloromethane / 3 h / 90 °C / Inert atmosphere

With thionyl chloride; triethylamine; N,N-dimethyl-formamide; In dichloromethane;
DOI:10.1039/c7cc02970e