2-Ethylhexyl 4-nitrobenzoate

Base Information

Chemical Name:2-Ethylhexyl 4-nitrobenzoate
CAS No.:16397-70-9
Molecular Formula:C15H21NO4
Molecular Weight:279.336
Hs Code.:
European Community (EC) Number:605-350-3
DSSTox Substance ID:DTXSID80343664
Mol file:16397-70-9.mol

Synonyms:2-Ethylhexyl 4-nitrobenzoate;16397-70-9;Benzoic acid, 4-nitro-, 2-ethylhexyl ester;2-Ethylhexyl-4-nitrobenzoate;EC 605-350-3;2-ethylhexyl ester;starbld0026949;SCHEMBL1500563;2-Ethylhexyl 4-nitrobenzoate #;DTXSID80343664;p-nitrobenzoic acid-2-ethylhexylester;AKOS015964115;4-Nitrobenzoic acid, 2-ethylhexyl ester;4-nitro benzoic acid 2-ethyl-hexyl ester;4-Nitro-Benzoic Acid 2-Ethyl-Hexyl Ester;FT-0727600

Suppliers and Price of 2-Ethylhexyl 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

TRC
2-Ethylhexyl4-Nitrobenzoate
250mg
$ 130.00

Total 20 raw suppliers

Chemical Property of 2-Ethylhexyl 4-nitrobenzoate

Chemical Property:

Boiling Point:390.6±25.0 °C(Predicted)
PSA：72.12000
Density:1.095±0.06 g/cm3(Predicted)
LogP:4.49120
XLogP3:5.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:279.14705815
Heavy Atom Count:20
Complexity:306

Purity/Quality:

99.9% ^*data from raw suppliers

2-Ethylhexyl4-Nitrobenzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(CC)COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Uses 2-Ethylhexyl 4-Nitrobenzoate is an intermediate in the synthesis of 2-Ethylhexyl-4-aminobenzoate (E918745) which is an impurity in the synthesis of Ethylhexyl Triazone (E918810), used in sunscreen formulations as a UV filter to block out harmful ultraviolet light.

Technology Process of 2-Ethylhexyl 4-nitrobenzoate

There total 3 articles about 2-Ethylhexyl 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: 89.2%

: 104-76-7
2-Ethylhexyl alcohol

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

: 16397-70-9
4-nitro-benzoic acid, 2-ethylhexyl ester

Guidance literature:: With sodium hydrogen sulfate; In toluene; at 135 - 145 ℃; Concentration;

Reference yield: 65.0%

: 104-76-7
2-Ethylhexyl alcohol

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

: 16397-70-9
4-nitro-benzoic acid, 2-ethylhexyl ester

Guidance literature:: 2-Ethylhexyl alcohol; With pyridine; In dichloromethane; for 0.166667h;

4-nitro-benzoyl chloride; In dichloromethane; for 2h; Heating / reflux;