1-(2,4-Dimethyl-5-nitrophenyl)ethanone

Base Information

• Chemical Name: 1-(2,4-Dimethyl-5-nitrophenyl)ethanone
• CAS No.: 13621-23-3
• Molecular Formula: C₁₀H₁₁NO₃
• Molecular Weight: 193.202
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID00410983
• Wikidata: Q82217389
• Mol file: 13621-23-3.mol

Synonyms:1-(2,4-dimethyl-5-nitrophenyl)ethanone;13621-23-3;1-(2,4-dimethyl-5-nitrophenyl)ethan-1-one;DTXSID00410983;AKOS016006991;CS-0214734;EN300-188918;AE-562/43461511

Chemical Property of 1-(2,4-Dimethyl-5-nitrophenyl)ethanone

Chemical Property:

• PSA: 62.89000
• LogP: 2.93740
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 246

Purity/Quality:

98%min ^*data from raw suppliers

1-(2,4-DIMETHYL-5-NITROPHENYL)ETHANONE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C(=O)C)[N+](=O)[O-])C

Technology Process of 1-(2,4-Dimethyl-5-nitrophenyl)ethanone

There total 3 articles about 1-(2,4-Dimethyl-5-nitrophenyl)ethanone 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:

2,4-dimethylacetophenone. (89-74-7) → 1-(2,4-dimethyl-3-nitro-phenyl)-ethanone (13621-24-4) + 1-(2,4-dimethyl-5-nitro-phenyl)-ethanone (13621-23-3)

Guidance literature:

With nitric acid; at -10 ℃; Reaktion ueber mehrere Stufen;

Reference yield:

nitric acid (7697-37-2,78989-43-2) + 2,4-dimethylacetophenone. (89-74-7) → 1-(2,4-dimethyl-3-nitro-phenyl)-ethanone (13621-24-4) + 1-(2,4-dimethyl-5-nitro-phenyl)-ethanone (13621-23-3)

Guidance literature:

at 25 - 30 ℃;

Reference yield:

→ 1-(2,4-dimethyl-5-nitro-phenyl)-ethanone (13621-23-3)

Guidance literature:

Stammverb., HNO3;

upstream raw materials:

2,4-dimethylacetophenone.

nitric acid

Downstream raw materials:

1-(5-amino-2,4-dimethyl-phenyl)-ethanone

2,4-dimethyl-5-nitrobenzoic acid

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