1-Ethyl-3-nitrobenzene

Base Information

• Chemical Name: 1-Ethyl-3-nitrobenzene
• CAS No.: 7369-50-8
• Molecular Formula: C8H9 N O2
• Molecular Weight: 151.165
• Hs Code.: 2904209090
• European Community (EC) Number: 230-923-6
• UNII: 437X9WL9JT
• DSSTox Substance ID: DTXSID00223979
• Nikkaji Number: J212.370C
• Wikidata: Q83102488
• Mol file: 7369-50-8.mol

Synonyms:1-Ethyl-3-nitrobenzene;7369-50-8;Benzene, 1-ethyl-3-nitro-;EINECS 230-923-6;437X9WL9JT;Benzene,1-ethyl-3-nitro-;3-ethylnitrobenzene;Nitrobenzene, 3-ethyl-;1-ethyl-3-nitro-benzene;UNII-437X9WL9JT;SCHEMBL132216;1-NITRO-3-ETHYLBENZENE;DTXSID00223979;MFCD00130058;AKOS015917645;DS-17885;CS-0161703;FT-0651625;C76351;EN300-329567

Chemical Property of 1-Ethyl-3-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.0507mmHg at 25°C
• Melting Point: -37.9°C
• Refractive Index: 1.5359 (estimate)
• Boiling Point: 243.2°C at 760 mmHg
• Flash Point: 105.3°C
• PSA: 45.82000
• Density: 1.127g/cm³
• LogP: 2.68040
• XLogP3: 2.9
• 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-3-nitrobenzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=CC=C1)[N+](=O)[O-]

Technology Process of 1-Ethyl-3-nitrobenzene

There total 19 articles about 1-Ethyl-3-nitrobenzene 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: 99.0%

1-nitro-3-vinyl-benzene (586-39-0,51209-60-0) → 3-ethylnitrobenzene (7369-50-8)

Guidance literature:

With hydrogen; In 1,4-dioxane; at 20 ℃; for 20h;

DOI:10.1002/adsc.201200330

Reference yield: 97.0%

1-nitro-3-vinyl-benzene (586-39-0,51209-60-0) + 2-(4-(tert-butyl)phenyl)benzo[d][1,3,2]dioxaborole (241147-96-6) → para-tert-butylphenol (98-54-4) + 3-ethylnitrobenzene (7369-50-8)

Guidance literature:

With oxygen; hydrazine hydrate; In acetonitrile; at 32 ℃; for 1.5h; under 760.051 Torr; Schlenk technique;

DOI:10.1002/ejoc.201501222

Reference yield: 92.0%

3-Nitroacetophenone (121-89-1) → 3-ethylnitrobenzene (7369-50-8)

Guidance literature:

With triethylsilane; boron trifluoride; In dichloromethane; at 0 - 25 ℃; for 1h;

DOI:10.15227/orgsyn.060.0108

upstream raw materials:

4-ethyl-2-nitroaniline

m-ethylaniline

methyl nitrate

ethylbenzene

Downstream raw materials:

3-acetylenephenylamine

3-nitrophenylacetylene

1,1-dibromo-1-(3-nitrophenyl)ethane

8-quinolinol

Refernces

• 1、 Gallou, Fabrice,Gao, Eugene S.,Lipshutz, Bruce H.,Takale, Balaram S.,Thakore, Ruchita R.. "Environmentally responsible, safe, and chemoselective catalytic hydrogenation of olefins: ppm level Pd catalysis in recyclable water at room temperature". supporting information. p. 6055 - 6061. Retrieved 2020/10/14.
• 2、 Gao, Tongtong,Liu, Zhong-Wen,Shi, Wen,Zhang, Bingsen,Zhang, Liyun,Zhang, Ying. "Finely Controlled Platinum Nanoparticles over ZnO Nanorods for Selective Hydrogenation of 3-Nitrostyrene to 3-Vinylaniline". . . Retrieved 2020/07/13.