2-Ethylnitrobenzene

Base Information

• Chemical Name: 2-Ethylnitrobenzene
• CAS No.: 612-22-6
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.165
• Hs Code.: 2904200090
• European Community (EC) Number: 250-083-4,210-299-1
• NSC Number: 5095
• UNII: DZR8C3N7UE
• DSSTox Substance ID: DTXSID4073209
• Nikkaji Number: J86.590G
• Wikidata: Q22829129
• Mol file: 612-22-6.mol

Synonyms:2-Ethylnitrobenzene;612-22-6;1-Ethyl-2-nitrobenzene;o-Ethylnitrobenzene;Ethylnitrobenzene;Benzene, 1-ethyl-2-nitro-;o-Nitroethylbenzene;2-Ethyl-1-nitrobenzene;30179-51-2;DZR8C3N7UE;CCRIS 3099;NSC 5095;NSC-5095;EINECS 210-299-1;EINECS 250-083-4;1-ethy1-2-nitro-benzene;NSC5095;o-ethyl nitrobenzene;UNII-DZR8C3N7UE;SCHEMBL124981;SCHEMBL3121140;1-Ethyl-2-nitrobenzene, 96%;DTXSID4073209;SCHEMBL14417279;MFCD00024294;AKOS015888596;AS-17507;E0153;FT-0612289;EN300-174278;F87374;1-Ethyl-2-nitrobenzene, purum, >=98.0% (GC);J-509331;F0001-2459

Chemical Property of 2-Ethylnitrobenzene

Chemical Property:

• Appearance/Colour: Colorless or light yellow to green oily liquid
• Melting Point: -13--10 °C(lit.)
• Refractive Index: n20/D 1.537(lit.)
• Boiling Point: 172-174 °C18 mm Hg(lit.)
• Flash Point: 228 °F
• PSA: 45.82000
• Density: 1.127 g/cm³
• LogP: 2.68040
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

1-Ethyl-2-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=CC=C1[N+](=O)[O-]
• Uses: 1-Ethyl-2-nitrobenzene may be used as a solvent to compose the supported liquid membrane (SLM) for use in electromembrane extractions (EMEs).

Technology Process of 2-Ethylnitrobenzene

There total 19 articles about 2-Ethylnitrobenzene 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: 95.0%

2-ethynyl-1-nitrobenzene (16433-96-8) → 2-nitro(ethylbenzene) (612-22-6) + 2-nitrostyrene (579-71-5)

Guidance literature:

With hydrogen; In hexane; toluene; at 30 ℃; for 6h; under 760.051 Torr;

DOI:10.1002/anie.201207845

Reference yield: 91.0%

2-ethylphenyl boronic acid (90002-36-1) → 2-nitro(ethylbenzene) (612-22-6)

Guidance literature:

With nitric acid; In 1,2-dichloro-ethane; at 70 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acs.joc.1c00886

Reference yield: 83.0%

ethylbenzene (100-41-4,27536-89-6) → 4-ethylnitrobenzene (100-12-9,94234-68-1,34527-20-3) + 2-nitro(ethylbenzene) (612-22-6)

Guidance literature:

With ammonium molybdate; water; nitric acid; In chloroform; for 6h; Heating;

DOI:10.1246/cl.2000.48

upstream raw materials:

ethyl nitrate

ethylbenzene

nitro acetate

ortho-ethylaniline

Downstream raw materials:

1-(2-nitro-phenyl)-ethanone oxime

1,2-bis(2-ethylphenyl)diazene

2-ethyl-3-chloro-aniline

3-Ethyl-phenylcyanomethylen-chinon

Refernces

• 1、 -. "Method for continuously synthesizing 4-ethylnitrobenzene and 2-ethylnitrobenzene". Paragraph 0081-0103. . Retrieved 2020/08/09.
• 2、 Kozic, Ján,Novák, Zdeněk,?ímal, Václav,Profant, Václav,Kune?, Ji?í,Vin?ová, Jarmila. "Conformations, equilibrium thermodynamics and rotational barriers of secondary thiobenzanilides". . p. 2072 - 2083. Retrieved 2016/04/09.