2-Chloro-1-(2-nitrophenyl)ethanone

Base Information

• Chemical Name: 2-Chloro-1-(2-nitrophenyl)ethanone
• CAS No.: 113337-37-4
• Molecular Formula: C8H6 Cl N O3
• Molecular Weight: 199.594
• DSSTox Substance ID: DTXSID60473756
• Wikidata: Q82303366
• Mol file: 113337-37-4.mol

Synonyms:2-chloro-1-(2-nitrophenyl)ethanone;113337-37-4;Ethanone, 2-chloro-1-(2-nitrophenyl)- (9CI);2-CHLORO-1-(2-NITROPHENYL)-ETHANONE;DTXSID60473756;AKOS010997565;2-chloro-1-(2-nitrophenyl)ethan-1-one;EN300-1966887

Chemical Property of 2-Chloro-1-(2-nitrophenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.00014mmHg at 25°C
• Melting Point: 66-67 °C
• Refractive Index: 1.575
• Boiling Point: 333°C at 760 mmHg
• Flash Point: 155.2°C
• PSA: 62.89000
• Density: 1.384g/cm³
• LogP: 2.53950
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.0036207
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-1-(2-nitrophenyl)ethanone

There total 12 articles about 2-Chloro-1-(2-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: 45.8%

1-chloroacetophenone (532-27-4,108321-66-0,164322-25-2) → 2-chloro-1-(3-nitrophenyl)ethanone (99-47-8) + 2-chloro-2'-nitroacetophenone (113337-37-4)

Guidance literature:

With sulfuric acid; guanidine nitrate; at -20 ℃; for 30h;

DOI:10.1016/j.molcatb.2013.07.021

Reference yield: 30.0%

2-acetylnitrobenzene (577-59-3) → 2-chloro-2'-nitroacetophenone (113337-37-4)

Guidance literature:

With sulfuryl dichloride; In chloroform; at 20 ℃;

DOI:10.1002/adsc.201000502

Reference yield:

2-nitrostyrene (579-71-5) → 2-chloro-2'-nitroacetophenone (113337-37-4) + 1-((E)-2-Chloro-vinyl)-2-nitro-benzene

Guidance literature:

With chlorine dioxide; In tetrachloromethane; at 52 - 54 ℃; for 2h;

upstream raw materials:

diazomethane

diethyl ether

2-nitrobenzyl chloride

2-acetylnitrobenzene

Downstream raw materials:

1H,1H'-2,2'-Biindolylidene-3,3'-dione

6-methyl-2-((2-(2-nitrophenyl)-2-oxoethyl)thio)-pyrimidin-4(3H)-one

2-(2-nitrobenzoylmethylthio)-5-methylpyrimidin-4(1H)-one

(2-nitrobenzoyl)diazomethane